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CHEBI:139737 - bhas#1-CoA(4-)

Default Structure
ChEBI IDCHEBI:139737
ChEBI Namebhas#1-CoA(4-)
Stars
DefinitionConjugate base of bhas#1-CoA
SubmitterMichael Witting
DownloadsMolfile
FormulaC34H54N7O22P3S
Net Charge-4
Average Mass1037.822
Monoisotopic Mass1037.22774
SMILESC[C@H](CC[C@H](O)CC(=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-])O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
InChIInChI=1S/C34H58N7O22P3S/c1-17(59-33-21(44)12-20(43)18(2)60-33)5-6-19(42)11-24(46)67-10-9-36-23(45)7-8-37-31(49)28(48)34(3,4)14-58-66(55,56)63-65(53,54)57-13-22-27(62-64(50,51)52)26(47)32(61-22)41-16-40-25-29(35)38-15-39-30(25)41/h15-22,26-28,32-33,42-44,47-48H,5-14H2,1-4H3,(H,36,45)(H,37,49)(H,53,54)(H,55,56)(H2,35,38,39)(H2,50,51,52)/p-4/t17-,18+,19+,20-,21-,22-,26-,27-,28+,32-,33-/m1/s1
InChIKeyVNRGWZVCJQQVTD-YYKFPHJGSA-J
ChEBI Ontology
Outgoing Relation(s)
bhas#1-CoA(4-) (CHEBI:139737) is a organic molecular entity (CHEBI:50860)