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precorrin-4

PropertiesImageOccurences in reactions
MNX_IDMNXM1441Image of MNXM1441
#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 4
formulaC44H45N4O17
charge-7
mass901.84486
referencemetacycM:CPD-651
InChIKeyIOBDBIPWYQGVMM-OQIQSJIMSA-G
InChIInChI=1S/C44H52N4O17/c1-20(49)44-40-25(14-37(60)61)41(2,12-11-35(56)57)30(47-40)16-27-21(5-8-32(50)51)22(13-36(58)59)26(45-27)15-28-23(6-9-33(52)53)42(3,18-38(62)63)31(46-28)17-29(48-44)24(7-10-34(54)55)43(44,4)19-39(64)65/h17,24,45,48H,5-16,18-19H2,1-4H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)(H,64,65)/p-7/b29-17-/t24-,41-,42+,43+,44+/m1/s1
SMILESCC(=O)[C@]12N\C(=C/C3=[NH+]C(Cc4[nH]c(CC5=NC1=C(CC([O-])=O)[C@@]5(C)CCC([O-])=O)c(CCC([O-])=O)c4CC([O-])=O)=C(CCC([O-])=O)[C@]3(C)CC([O-])=O)[C@@H](CCC([O-])=O)[C@]2(C)CC([O-])=O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD-651
metacycM:CPD-651
precorrin-4
bigg.metabolite:pre4
biggM:pre4
kegg.compound:C06407
keggC:C06407
Precorrin 4
seed.compound:cpd03834
seedM:cpd03834
Precorrin 4
pre4
precorrin-4
CHEBI:57769
chebi:57769
precorrin-4
3,3',3'',3'''-[(2S,3S,7S,17R)-1-acetyl-2,7,12,18-tetrakis(carboxylatomethyl)-2,7,17-trimethyl-18,19-didehydrocorrin-3,8,13,17-tetrayl]tetrapropanoate
precorrin-4 octaanion
precorrin-4(8-)
CHEBI:16430
chebi:16430
precorrin-4
3,3',3'',3'''-[(2S,3S,7S,17R)-1-acetyl-2,7,12,18-tetrakis(carboxymethyl)-2,7,17-trimethyl-18,19-didehydrocorrin-3,8,13,17-tetrayl]tetrapropanoic acid
3-[(2S,3S,7S,17R)-1-acetyl-2,7,12,18-tetrakis(carboxymethyl)-2,7,17-trimethyl-18,19-didehydrocorrin-3,8,13,17-tetrayl]tetrapropanoic acid
Precorrin 4
chebi:14869
chebi:14873
chebi:26223
chebi:8373
biggM:M_pre4
keggC:M_C06407
seedM:M_cpd03834
secondary/obsolete/fantasy identifier