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Cobinamide

MNXM1549 is deprecated and here replaced by MNXM729643
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM729643 Image of MNXM729643
referenceseedM:cpd03422
formulaC48H71CoN11O8
global charge-1
mol weight989.098
InChIKeyJLHQWDQPSTZNHB-MQDJDTFKSA-L
InChIInChI=1S/C48H73N11O8.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43;/h19,23,27-29,43,60H,10-18,20-22H2,1-9H3,(H15,49,50,51,52,53,54,55,56,57,58,59,61,62,63,64,65,66,67);/q;+1/p-2/b31-19-;/t23-,27-,28-,29+,43-,45-,46+,47+,48+;/m1./s1
SMILESCC1=C2N3C(=C(CCC(N)=O)[C@]2(C)CC(N)=O)C=C2[N+]4=C(C(C)=C5N6[C@H]([C@H](CC(N)=O)[C@@]5(C)CCC(=O)NC[C@@H](C)O)[C@]5(C)[N+](=C1[C@@H](CCC(N)=O)[C@]5(C)CC(N)=O)[Co-3]364)[C@@H](CCC(N)=O)C2(C)C
MNX internals
InChI (mnx)InChI=1/C48H73N11O8.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43;/h19,23,27-29,43,60H,10-18,20-22H2,1-9H3,(H15,49,50,51,52,53,54,55,56,57,58,59,61,62,63,64,65,66,67);/q;+1/b31-19-;/t23-,27-,28-,29+,43-,45-,46+,47+,48+;/m1./s1 Image of MNXM729643
SMILES (mnx)[CH3:1][C@H:23]([CH2:22][N:55]=[C:38]([CH2:16][CH2:17][C@:45]1([CH3:6])[C@@H:29]([CH2:18][C:35](=[NH:52])[OH:64])[C@@H:43]2[C@@:48]3([CH3:9])[C@@:47]([CH3:8])([CH2:21][C:37](=[NH:54])[OH:66])[C@H:28]([CH2:12][CH2:15][C:34](=[NH:51])[OH:63])[C:40](=[C:25]([CH3:3])[C:42]4=[N:56][C:30](=[C:26]([CH2:10][CH2:13][C:32]([NH-:49])=[O:61])[C@:46]4([CH3:7])[CH2:20][C:36](=[NH:53])[OH:65])/[CH:19]=[C:31]4/[C:44]([CH3:4])([CH3:5])[C@H:27]([CH2:11][CH2:14][C:33](=[NH2+:50])[OH:62])[C:39](=[C:24]([CH3:2])[C:41]1=[N:58]2)[NH:57]4)[NH:59]3)[OH:67])[OH:60].[Co+:68]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 36
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd03422
seedM:cpd03422
JLHQWDQPSTZNHB-MQDJDTFKSA-L 		Cobinamide
Cbi
Cbi(I)
Cob(I)inamide
cbi
cob(I)inamide
cobinamide
cobyrinic acid a,c-diamide

bigg.metabolite:cbi
biggM:cbi
XQRJFEVDQXEIAX-FGSUPGCXSA-M 		Cobinamide

kegg.compound:C05774
keggC:C05774
XQRJFEVDQXEIAX-FGSUPGCXSA-M 		Cobinamide
Cob(I)inamide

metacyc.compound:COBINAMIDE
metacycM:COBINAMIDE
XQRJFEVDQXEIAX-JFYQDRLCSA-M 		cob(I)inamide
Cbi(I)

CHEBI:28956
chebi:28956
XQRJFEVDQXEIAX-JFYQDRLCSA-M 		cob(I)inamide
Cbi
Cob(I)inamide
Cobinamid
Cobinamide
cobinamide

chebi:23342
chebi:3798
chebi:48529
biggM:M_cbi
keggC:M_C05774
seedM:M_cpd03422 		secondary/obsolete/fantasy identifier