CHEBI:58561 - precorrin-3A(7−)

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ChEBI Name precorrin-3A(7−)
ChEBI ID CHEBI:58561
ChEBI ASCII Name precorrin-3A(7-)
Definition Heptaanion of precorrin-3A.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C43H43N4O16
Net Charge -7
Average Mass 871.81870
Monoisotopic Mass 871.27125
InChI InChI=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
InChIKey AILJETHLKULYHE-IHDLTXBCSA-G
SMILES C\C1=C2\[NH2+]\C(=C/C3=N/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
ChEBI Ontology
Outgoing precorrin-3A(7−) (CHEBI:58561) is a precorrin carboxylic acid anion (CHEBI:59140)
precorrin-3A(7−) (CHEBI:58561) is conjugate base of precorrin-3A (CHEBI:28307)
Incoming precorrin-3A (CHEBI:28307) is conjugate acid of precorrin-3A(7−) (CHEBI:58561)
Synonym Source
precorrin-3A UniProt
Last Modified
22 March 2014