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CHEBI:74307 - heptadecanoyl-CoA(4−)

ChEBI IDCHEBI:74307
ChEBI Nameheptadecanoyl-CoA(4−)
Stars
ASCII Nameheptadecanoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of heptadecanoyl-CoA.
Last Modified28 October 2014
Submitterabridge
DownloadsMolfile
FormulaC38H64N7O17P3S
Net Charge-4
Average Mass1015.951
Monoisotopic Mass1015.33142
SMILESCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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-]
InChIInChI=1S/C38H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(47)66-22-21-40-28(46)19-20-41-36(50)33(49)38(2,3)24-59-65(56,57)62-64(54,55)58-23-27-32(61-63(51,52)53)31(48)37(60-27)45-26-44-30-34(39)42-25-43-35(30)45/h25-27,31-33,37,48-49H,4-24H2,1-3H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/p-4/t27-,31-,32-,33+,37-/m1/s1
InChIKeyDRABUZIHHACUPI-DUPKZGIXSA-J
ChEBI Ontology
Outgoing Relation(s)
heptadecanoyl-CoA(4−) (CHEBI:74307) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
heptadecanoyl-CoA(4−) (CHEBI:74307) is a saturated fatty acyl-CoA(4−) (CHEBI:77332)
heptadecanoyl-CoA(4−) (CHEBI:74307) is conjugate base of heptadecanoyl-CoA (CHEBI:74397)
Incoming Relation(s)
heptadecanoyl-CoA (CHEBI:74397) is conjugate acid of heptadecanoyl-CoA(4−) (CHEBI:74307)
IUPAC Name 
3'-phosphonatoadenosine 5'-(3-{(3R)-4-[(3-{[2-(heptadecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} diphosphate)
Synonym  Source
heptadecanoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
heptadecanoyl-CoAUniProt