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cob(II)yrinate

MNXM92210 is deprecated and here replaced by MNXM741356
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM741356 Image of MNXM741356
referencechebi:58894
formulaC45H52CoN4O14
global charge-6
mol weight931.858
InChIKeyZRAQEEAQQLYOBK-OKJGWHJPSA-F
InChIInChI=1S/C45H60N4O14.Co/c1-21-36-24(10-13-30(52)53)41(3,4)28(47-36)18-27-23(9-12-29(50)51)43(6,19-34(60)61)39(46-27)22(2)37-25(11-14-31(54)55)44(7,20-35(62)63)45(8,49-37)40-26(17-33(58)59)42(5,38(21)48-40)16-15-32(56)57;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H8,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-8/t23-,24-,25-,26+,40-,42-,43+,44+,45+;/m1./s1
SMILESC/C1=C2/N([Co+])[C@H]([C@H](CC(=O)[O-])[C@@]2(C)CCC(=O)[O-])[C@]2(C)N=C(/C(C)=C3\N=C(/C=C4\N=C1[C@@H](CCC(=O)[O-])C4(C)C)[C@@H](CCC(=O)[O-])[C@]3(C)CC(=O)[O-])[C@@H](CCC(=O)[O-])[C@]2(C)CC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C45H60N4O14.Co/c1-21-36-24(10-13-30(52)53)41(3,4)28(47-36)18-27-23(9-12-29(50)51)43(6,19-34(60)61)39(46-27)22(2)37-25(11-14-31(54)55)44(7,20-35(62)63)45(8,49-37)40-26(17-33(58)59)42(5,38(21)48-40)16-15-32(56)57;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H8,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/t23-,24-,25-,26+,40-,42-,43+,44+,45+;/m1./s1 Image of MNXM741356
SMILES (mnx)[CH3:1][C:21]1=[C:36]2[C@@H:24]([CH2:10][CH2:13][C:30](=[O:52])[OH:53])[C:41]([CH3:3])([CH3:4])[C:28](=[N:47]2)[CH:18]=[C:27]2[C@@H:23]([CH2:9][CH2:12][C:29](=[O:50])[OH:51])[C@:43]([CH3:6])([CH2:19][C:34](=[O:60])[OH:61])[C:39](=[NH+:46]2)[C:22]([CH3:2])=[C:37]2[C@@H:25]([CH2:11][CH2:14][C:31](=[O:54])[OH:55])[C@:44]([CH3:7])([CH2:20][C:35](=[O:62])[OH:63])[C@:45]([CH3:8])([C@H:40]3[C@H:26]([CH2:17][C:33](=[O:58])[OH:59])[C@@:42]([CH3:5])([CH2:16][CH2:15][C:32](=[O:56])[OH:57])[C:38]1=[N:48]3)[N-:49]2.[Co+2:64]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58894
chebi:58894
ZRAQEEAQQLYOBK-OKJGWHJPSA-F 		cob(II)yrinate
3,3',3'',3'''-{[(1R,2S,3S,7S,8S,17R,18R,19R)-2,7,18-tris(carboxylatomethyl)-1,2,5,7,12,12,15,17-octamethylcorrin-3,8,13,17-tetrayl-kappa(4)N(21),N(22),N(23),N(24)]tetrapropanoato}cobalt(II)
cob(II)yrinate hexaanion
cob(II)yrinate(6-)

kegg.compound:C05773
keggC:C05773
ZRAQEEAQQLYOBK-OKJGWHJPSA-M 		Cobyrinate
Cob(II)yrinate
Cob(II)yrinic acid
Cobyrinic acid

seed.compound:cpd03421
seedM:cpd03421
ZRAQEEAQQLYOBK-OKJGWHJPSA-F 		Cobyrinate
Cob(II)yrinate
Cob(II)yrinic acid
Cobyrinic acid
cobya
cobyrinate
cobyrinic acid

CHEBI:52499
chebi:52499
ZRAQEEAQQLYOBK-OKJGWHJPSA-M 		cob(II)yrinic acid
3,3',3'',3'''-{[(1R,2S,3S,7S,8S,17R,18R,19R)-2,7,18-tris(carboxymethyl)-1,2,5,7,12,12,15,17-octamethylcorrin-3,8,13,17-tetrayl-kappa(4)N(21),N(22),N(23),N(24)]tetrapropanoato(2-)}cobalt(II)

metacyc.compound:CPD-9049
metacycM:CPD-9049
ZRAQEEAQQLYOBK-OKJGWHJPSA-F 		cobyrinate
cobyrinic acid

keggC:M_C05773
seedM:M_cpd03421 		secondary/obsolete/fantasy identifier