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Cobalt-sirohydrochlorin

MNXM1420 is deprecated and here replaced by MNXM47447
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM47447 Image of MNXM47447
referencekeggC:C11538
formulaC42H44CoN4O16
global charge0
mol weight919.759
InChIKeyXZMXJYDTAININL-QIISWYHFSA-L
InChIInChI=1S/C42H46N4O16.Co/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;/h13-16,23-24H,3-12,17-18H2,1-2H3,(H10,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+2/p-2/t23-,24-,41+,42+;/m1./s1
SMILESC[C@@]1(CC(=O)O)/C2=C/C3=C(CC(=O)O)C(CCC(=O)O)=C4/C=C5\N=C(/C=C6/[C@@H](CCC(=O)O)[C@](C)(CC(=O)O)/C(=C/C(=N2)[C@H]1CCC(=O)O)N6[Co]N43)C(CC(=O)O)=C5CCC(=O)O
MNX internals
InChI (mnx)InChI=1/C42H46N4O16.Co/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;/h13-16,23-24H,3-12,17-18H2,1-2H3,(H10,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+2/t23-,24-,41+,42+;/m1./s1 Image of MNXM47447
SMILES (mnx)[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]([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=[N: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])[NH2+:44]4)[N-:43]3.[Co+2:63]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

kegg.compound:C11538
keggC:C11538
XZMXJYDTAININL-QIISWYHFSA-L 		Cobalt-sirohydrochlorin
Cobalt-factor II

CHEBI:60049
chebi:60049
XZMXJYDTAININL-CJWGFWHSSA-D 		Co-sirohydrochlorin
cobalt-sirohydrochlorin hexaanion
cobalt-sirohydrochlorin(8-)
{3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl-kappa(4)N(21),N(22),N(23),N(24)]tetrapropanoato(10-)}cobalt(6-)

seed.compound:cpd08368
seedM:cpd08368
XZMXJYDTAININL-QIISWYHFSA-D 		Cobalt-precorrin 2
Cobalt-factor II
Cobalt-sirohydrochlorin
cobalt-factor II
cobalt-sirohydrochlorin
copre2

CHEBI:52491
chebi:52491
XZMXJYDTAININL-CJWGFWHSSA-L 		cobalt-sirohydrochlorin
Cobalt-factor II
{3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl-kappa(4)N(21),N(22),N(23),N(24)]tetrapropanoato(2-)}cobalt

metacyc.compound:COBALT-SIROHYDROCHLORIN
metacycM:COBALT-SIROHYDROCHLORIN
XZMXJYDTAININL-CJWGFWHSSA-D 		cobalt-sirohydrochlorin
cobalt-factor II

keggC:M_C11538
seedM:M_cpd08368 		secondary/obsolete/fantasy identifier