CHEBI:188360 - benzylmalonyl-CoA(5−)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name benzylmalonyl-CoA(5−)
ChEBI ID CHEBI:188360
ChEBI ASCII Name benzylmalonyl-CoA(5-)
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C31H39N7O19P3S
Net Charge -5
Average Mass 938.670
Monoisotopic Mass 938.12617
InChI InChI=1S/C31H44N7O19P3S/c1-31(2,24(41)27(42)34-9-8-20(39)33-10-11-61-30(45)18(29(43)44)12-17-6-4-3-5-7-17)14-54-60(51,52)57-59(49,50)53-13-19-23(56-58(46,47)48)22(40)28(55-19)38-16-37-21-25(32)35-15-36-26(21)38/h3-7,15-16,18-19,22-24,28,40-41H,8-14H2,1-2H3,(H,33,39)(H,34,42)(H,43,44)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/p-5/t18?,19-,22-,23-,24+,28-/m1/s1
InChIKey DRQIVITWDNJGHP-LNSOOWQSSA-I
SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)C(C([O-])=O)CC4=CC=CC=C4)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
ChEBI Ontology
Outgoing benzylmalonyl-CoA(5−) (CHEBI:188360) is a acyl-CoA(4−) (CHEBI:58342)
Synonym Source
benzylmalonyl-CoA UniProt
Citation Waiting for Citations Type Source
34059946 PubMed citation SUBMITTER