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cob(II)alamin

PropertiesImage
MNX_IDMNXM1583512 Image of MNXM1583512
referencechebi:16304
formulaC62H88CoN13O14P
global charge0
mol weight1329.37
InChIKeyASARMUCNOOHMLO-DSRCUDDDSA-L
InChIInChI=1S/C62H90N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);/q;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1
SMILESCC1=C2N3[C@@H]4[C@H](CC(N)=O)[C@@]2(C)CCC(=O)NC[C@@H](C)OP(=O)([O-])O[C@H]2[C@@H](O)[C@H](O[C@@H]2CO)n2c[n+](c5cc(C)c(C)cc52)[Co-3]325[N+]3=C1[C@@H](CCC(N)=O)C(C)(C)C3=CC1=[N+]2C(=C(C)C2=[N+]5[C@]4(C)[C@@](C)(CC(N)=O)[C@@H]2CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]1CCC(N)=O
MNX internals
InChI (mnx)InChI=1/C62H90N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,73,76,84H,12-19,22,24-27H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);/q;+1/b42-23?,54-32?,55-33?;/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1 Image of MNXM1583512
SMILES (mnx)[CH3:1][c:29]1[cH:20][c:39]2[c:40]([cH:21][c:30]1[CH3:2])[n:75]([C@@H:57]1[C@H:52]([OH:84])[C@H:53]([O:89][P:90](=[O:85])([OH:86])[O:88][C@H:31]([CH3:3])[CH2:26][NH:69][C:49]([CH2:18][CH2:19][C@:59]3([CH3:8])[C@@H:37]([CH2:22][C:46]([NH2:66])=[O:80])[C@@H:56]4[C@@:62]5([CH3:11])[C@@:61]([CH3:10])([CH2:25][C:48]([NH2:68])=[O:82])[C@H:36]([CH2:14][CH2:17][C:45]([NH2:65])=[O:79])[C:51](=[N:74]5)[C:33]([CH3:5])=[C:55]5[C@@:60]([CH3:9])([CH2:24][C:47]([NH2:67])=[O:81])[C@H:34]([CH2:12][CH2:15][C:43]([NH2:63])=[O:77])[C:38](=[N:71]5)[CH:23]=[C:42]5[C:58]([CH3:6])([CH3:7])[C@H:35]([CH2:13][CH2:16][C:44]([NH2:64])=[O:78])[C:50](=[N:72]5)[C:32]([CH3:4])=[C:54]3[NH:73]4)=[O:83])[C@@H:41]([CH2:27][OH:76])[O:87]1)[cH:28][n:70]2.[Co+:91]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)30
in models (compartimentalized) 17
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-3149479
reactome:R-ALL-3149564
CHEBI:16304
chebi:16304
ASARMUCNOOHMLO-DSRCUDDDSA-L 		cob(II)alamin
Cob(II)alamin
Vitamin B12r
vitamin B-12r

bigg.metabolite:cbl2
biggM:cbl2
ASARMUCNOOHMLO-DSRCUDDDSA-L 		Cob II alamin

bigg.metabolite:cbl1
biggM:cbl1
OMAOKVYASDIYQG-DSRCUDDDSA-L 		Cob(I)alamin
hmdb:HMDB0003429
OMAOKVYASDIYQG-DSRCUDDDSA-M 		Cob(I)alamin
(10S,12R,13S,17R,23R,24R,25R,30S,35S,36S,40S,41S,42R,46R)-30,35,40-tris(2-carbamoylethyl)-24,36,41-tris(carbamoylmethyl)-15,46-dihydroxy-12-(hydroxymethyl)-5,6,17,23,28,31,31,36,38,41,42-undecamethyl-15,20-dioxo-11,14,16-trioxa-2lambda5,9,19,26,43lambda5,44lambda5,45lambda5-heptaaza-15lambda5-phospha-1-cobaltadodecacyclo[27.14.1.1^{1,34}.1^{2,9}.1^{10,13}.0^{1,26}.0^{3,8}.0^{23,27}.0^{25,42}.0^{32,44}.0^{39,43}.0^{37,45}]heptatetraconta-2(47),3,5,7,27,29(44),32,34(45),37,39(43)-decaene-2,43,44,45-tetrakis(ylium)-1,1,1,1-tetrauide
Cyanocobalamin
Hydrido-cobalamin
Hydridocobalamin
Vitamin b-12S
Vitamin b12S

vmhM:cbl1
vmhM:cbl1
vmhmetabolite:cbl1
vmhmetabolite:cbl1
OMAOKVYASDIYQG-DSRCUDDDSA-L 		Cob(I)alamin
Cobalamin malabsorption syndrome
Cyanocobalamin
Hydrido-cobalamin
Hydridocobalamin
Vitamin b-12S
Vitamin b12S

vmhM:cbl2
vmhM:cbl2
vmhmetabolite:cbl2
vmhmetabolite:cbl2
ASARMUCNOOHMLO-DSRCUDDDSA-L 		Cob(II)alamin
Co(I)-cobalamine
Cob(2)alamin
Cob(II)alamin
Cobinamide-co(1+)
Cytoplasma
Reduced vitamin b12
Vitamin b12R
b12R
hmdb:HMDB0002174
NSLAUEAQDBERRV-DSRCUDDDSA-L 		Cobalamin
(10S,12R,13S,17R,23R,24R,25R,30S,35S,36S,40S,41S,42R,46R)-30,35,40-tris(2-carbamoylethyl)-24,36,41-tris(carbamoylmethyl)-46-hydroxy-12-(hydroxymethyl)-5,6,17,23,28,31,31,36,38,41,42-undecamethyl-15,20-dioxo-11,14,16-trioxa-2lambda5,9,19,26,43lambda5,44lambda5,45lambda5-heptaaza-15lambda5-phospha-1-cobaltadodecacyclo[27.14.1.1^{1,34}.1^{2,9}.1^{10,13}.0^{1,26}.0^{3,8}.0^{23,27}.0^{25,42}.0^{32,44}.0^{39,43}.0^{37,45}]heptatetraconta-2(47),3,5,7,27,29(44),32,34(45),37,39(43)-decaene-2,43,44,45-tetrakis(ylium)-1,1-diuid-15-olate
5,6-Dimethyl-1-a-D-ribofuranosyl-1H-benzimidazole
5,6-Dimethyl-1-a-D-ribofuranosylbenzimidazole
5,6-Dimethyl-1-alpha-delta-ribofuranosyl-1H-benzimidazole
5,6-Dimethyl-1-alpha-delta-ribofuranosylbenzimidazole
Cbl
Cob(III)alamin
Cobalamin (III)
Cobalamin(1+)
Cobalamin(III)
Cobalamine
Cobalamins
Cobinamide ion(1+) dihydrogen phosphate (ester) inner salt 3'-ester
Cobinamide ion(1+) dihydrogen phosphate (ester) inner salt 3'-ester with 5,6-dimethyl-1-alpha-delta-ribofuranosyl-1H-benzimidazole
Cyanocobalamin
Eritron
Hydroxomin
Rubivite
Rubratope-57
Rubratope-60
Ruvite
Vitamin b 12
Vitamin b12
a-(5,6-Dimethylbenzimidazolyl)cobamide
alpha-(5,6-Dimethylbenzimidazolyl)cobamide
alpha-(5,6-dimethylbenzimidazolyl)cobamide
b 12, Vitamin
b12, Vitamin
metatlas:MAM01598
OMAOKVYASDIYQG-DSRCUDDDSA-M 		cob(I)alamin

reactome:R-ALL-3149496
reactome:R-ALL-3159260
CHEBI:60488
chebi:60488
OMAOKVYASDIYQG-DSRCUDDDSA-L 		cob(I)alamin(1-)
cob(I)alamin

metacyc.compound:COB-I-ALAMIN
metacycM:COB-I-ALAMIN
OMAOKVYASDIYQG-DSRCUDDDSA-L 		cob(I)alamin
B12s
cobalamin

CHEBI:15982
chebi:15982
OMAOKVYASDIYQG-DSRCUDDDSA-M 		cob(I)alamin
Cob(I)alamin
Vitamin B12s
vitamin B-12s
metatlas:MAM01599
ASARMUCNOOHMLO-DSRCUDDDSA-L 		cob(II)alamin

metacyc.compound:CPD-1829
metacycM:CPD-1829
ASARMUCNOOHMLO-DSRCUDDDSA-L 		cob(II)alamin
B12r
cobalamin

reactome:R-ALL-3000125
reactome:R-ALL-3000239
reactome:R-ALL-3000241
CHEBI:28911
chebi:28911
NSLAUEAQDBERRV-DSRCUDDDSA-L 		cob(III)alamin
Cbl
Cob(III)alamin
Cobalamin (III)
alpha-(5,6-dimethylbenzimidazolyl)cobamide
cobalamin(1+)
cobalamin(III)

metacyc.compound:CPD-17105
metacycM:CPD-17105
NSLAUEAQDBERRV-DSRCUDDDSA-L 		cob(III)alamin
alpha-(5,6-dimethylbenzimidazolyl)cobamide
cobalamin
cobalamin(III)

hmdb:HMDB0006470
hmdb:HMDB02174
hmdb:HMDB03429
hmdb:HMDB06470
chebi:10006
chebi:14004
chebi:14005
chebi:23328
chebi:23330
chebi:23332
chebi:3784
chebi:3786
biggM:M_cbl1
biggM:M_cbl2
vmhM:M_cbl1
vmhM:M_cbl2 		secondary/obsolete/fantasy identifier