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precorrin-3A

PropertiesImageOccurences in reactions
MNX_IDMNXM1290Image of MNXM1290
#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 4
formulaC43H43N4O16
charge-7
mass871.81888
referencechebi:58561
InChIKeyAILJETHLKULYHE-IHDLTXBCSA-G
InChIInChI=1S/C43H50N4O16/c1-19-40-23(13-37(58)59)21(5-9-33(50)51)27(46-40)14-26-20(4-8-32(48)49)22(12-36(56)57)28(44-26)15-29-24(6-10-34(52)53)42(2,17-38(60)61)31(45-29)16-30-25(7-11-35(54)55)43(3,18-39(62)63)41(19)47-30/h15-16,24-25,44,46-47H,4-14,17-18H2,1-3H3,(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/p-7/b29-15-,30-16-,41-19-/t24-,25-,42+,43+/m1/s1
SMILESC\C1=C2\N\C(=C/C3=[NH+]/C(=C\c4[nH]c(Cc5[nH]c1c(CC([O-])=O)c5CCC([O-])=O)c(CCC([O-])=O)c4CC([O-])=O)/[C@@H](CCC([O-])=O)[C@]3(C)CC([O-])=O)[C@@H](CCC([O-])=O)[C@]2(C)CC([O-])=O
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:58561
chebi:58561
precorrin-3A
precorrin-3A(7-)
bigg.metabolite:pre3a
biggM:pre3a
Precorrin 3 A
kegg.compound:C05772
keggC:C05772
Precorrin 3A
seed.compound:cpd03420
seedM:cpd03420
Precorrin 3A
Precorrin 3 A
pre3a
precorrin-3A
metacyc.compound:CPD-642
metacycM:CPD-642
precorrin-3A
CHEBI:28307
chebi:28307
precorrin-3A
3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13,15-trimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid
Precorrin 3A
chebi:14871
chebi:26221
chebi:8371
biggM:M_pre3a
keggC:M_C05772
seedM:M_cpd03420
secondary/obsolete/fantasy identifier