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sirohydrochlorin

PropertiesImageOccurences in reactions
MNX_IDMNXM740871Image of MNXM740871
#reac
in my sandbox 0
in MNXref (generic)21
in models (compartimentalized) 10
formulaC42H38N4O16
charge-8
mass854.778
referencechebi:58351
InChIKeyKWIZRXMMFRBUML-AHGFGAHVSA-F
InChIInChI=1S/C42H46N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h13-16,23-24,44-45H,3-12,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/p-8/b25-13-,29-14-,31-15-,32-16-/t23-,24-,41+,42+/m1/s1
SMILES[CH3:1][C@:41]1([CH2:17][C:39](=[O:59])[OH:60])[C@H:23]([CH2:5][CH2:9][C:35](=[O:51])[OH:52])[c:29]2[cH:14][c:27]3[n:43][c:25]([cH:13][c:26]4[c:20]([CH2:4][CH2:8][C:34](=[O:49])[OH:50])[c:22]([CH2:12][C:38](=[O:57])[OH:58])[c:28]([cH:15][c:31]5[n:46][c:30]([cH:16][c:32]1[nH:45]2)[C@@H:24]([CH2:6][CH2:10][C:36](=[O:53])[OH:54])[C@:42]5([CH3:2])[CH2:18][C:40](=[O:61])[OH:62])[nH:44]4)[C:19]([CH2:3][CH2:7][C:33](=[O:47])[OH:48])=[C:21]3[CH2:11][C:37](=[O:55])[OH:56]
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:58351
chebi:58351 		sirohydrochlorin
3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxylatomethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoate
sirohydrochlorin octaanion
sirohydrochlorin(8-)
bigg.metabolite:scl
biggM:scl
kegg.compound:C05778
keggC:C05778 		Sirohydrochlorin
seed.compound:cpd03426
seedM:cpd03426 		Sirohydrochlorin
Precorrin
scl
sirohydrochlorin
vmhM:scl
vmhmetabolite:scl 		sirohydrochlorin
CHEBI:18023
chebi:18023 		sirohydrochlorin
(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrapropionic acid
Sirohydrochlorin
metacyc.compound:SIROHYDROCHLORIN
metacycM:SIROHYDROCHLORIN 		sirohydrochlorin
Precorrin
chebi:15090
chebi:26691
chebi:9167
biggM:M_scl
keggC:M_C05778
seedM:M_cpd03426 		secondary/obsolete/fantasy identifier