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precorrin-4

Properties
MNX_IDMNXM1441
formulaC44H44N4O17
charge-8
mass900.83692
referencemetacycM:CPD-651
Image of MNXM1441
InChIKeyIOBDBIPWYQGVMM-OQIQSJIMSA-F
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-8/b29-17-/t24-,41-,42+,43+,44+/m1/s1
SMILESCC(=O)[C@]12N\C(=C/C3=NC(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

Occurences in reactions

#reac
Distinct reactions in my sandbox 0
Distinct generic reactions in MNXref4
Distinct compatimentalized reactions in models3

Similar chemical compounds in external resources
IdentifierDescription
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 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
metacycM:CPD-651 precorrin-4
seedM:cpd03834 Precorrin 4
pre4
precorrin-4
biggM:pre4
keggC:C06407
Precorrin 4
biggM:M_pre4
chebi:14869
chebi:14873
chebi:26223
chebi:8373
keggC:M_C06407
seedM:M_cpd03834
secondary/obsolete/fantasy identifier
MNXM92599is deprecated and replaced by this entry