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precorrin-2

PropertiesImageOccurences in reactions
MNX_IDMNXM739345Image of MNXM739345
#reac
in my sandbox 0
in MNXref (generic)17
in models (compartimentalized) 6
formulaC42H41N4O16
charge-7
mass857.802
referencechebi:58827
InChIKeyOQIIYZQTTMKFAU-ZNLOQLQNSA-G
InChIInChI=1S/C42H48N4O16/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/h14-16,23-24,43-45H,3-13,17-18H2,1-2H3,(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-7/b29-14-,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[c:21]([CH2:11][C:37](=[O:55])[OH:56])[c:19]([CH2:3][CH2:7][C:33](=[O:47])[OH:48])[c:25]([nH:43]3)[CH2:13][c:26]3[c:20]([CH2:4][CH2:8][C:34](=[O:49])[OH:50])[c:22]([CH2:12][C:38](=[O:57])[OH:58])[c:28]([nH:44]3)/[CH:15]=[C:31]3/[C@@:42]([CH3:2])([CH2:18][C:40](=[O:61])[OH:62])[C@H:24]([CH2:6][CH2:10][C:36](=[O:53])[OH:54])[C:30](=[N:46]3)/[CH:16]=[C:32]/1[NH:45]2
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:58827
chebi:58827 		precorrin-2
3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxylatomethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoate
precorrin-2 heptaanion
precorrin-2(7-)
vmhM:pre2
vmhmetabolite:pre2 		Precorrin 2
sabiork.compound:6220
sabiorkM:6220 		Precorrin 2
Dihydrosirohydrochlorin
seed.compound:cpd01620
seedM:cpd01620 		Precorrin 2
Dihydrosirohydrochlorin
dihydrosirohydrochlorin
pre2
precorrin-2
CHEBI:50602
chebi:50602 		precorrin-2
15,23-Dihydrosirohydrochlorin
3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid
Dihydrosirohydrochlorin
Precorrin 2
metacyc.compound:DIHYDROSIROHYDROCHLORIN
metacycM:DIHYDROSIROHYDROCHLORIN 		precorrin-2
dihydrosirohydrochlorin
chebi:14870
chebi:8370
seedM:M_cpd01620 		secondary/obsolete/fantasy identifier