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CHEBI:188360 - benzylmalonyl-CoA(5−)

ChEBI IDCHEBI:188360
ChEBI Namebenzylmalonyl-CoA(5−)
Stars
ASCII Namebenzylmalonyl-CoA(5-)
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC31H39N7O19P3S
Net Charge-5
Average Mass938.672
Monoisotopic Mass938.12617
SMILESCC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C(Cc1ccccc1)C(=O)[O-]
InChIInChI=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
InChIKeyDRQIVITWDNJGHP-LNSOOWQSSA-I
ChEBI Ontology
Outgoing Relation(s)
benzylmalonyl-CoA(5−) (CHEBI:188360) is a acyl-CoA(4−) (CHEBI:58342)
UniProt Name  Source
benzylmalonyl-CoAUniProt
Citations