IC-asc-DeltaC7-CoA(4-) (CHEBI:166977)

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CHEBI:166977 - IC-asc-ΔC7-CoA(4−)

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ChEBI ID	CHEBI:166977
ChEBI Name	IC-asc-ΔC7-CoA(4−)
Stars
ASCII Name	IC-asc-DeltaC7-CoA(4-)
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C43H57N8O22P3S
Net Charge	-4
Average Mass	1162.952
Monoisotopic Mass	1162.25429
SMILES	C[C@H](CC/C=C/C(=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](OC(=O)c2cnc3ccccc23)C[C@H]1O
InChI	InChI=1S/C43H61N8O22P3S/c1-23(68-42-28(52)17-29(24(2)69-42)71-41(58)26-18-47-27-11-7-6-10-25(26)27)9-5-8-12-32(54)77-16-15-45-31(53)13-14-46-39(57)36(56)43(3,4)20-67-76(64,65)73-75(62,63)66-19-30-35(72-74(59,60)61)34(55)40(70-30)51-22-50-33-37(44)48-21-49-38(33)51/h6-8,10-12,18,21-24,28-30,34-36,40,42,47,52,55-56H,5,9,13-17,19-20H2,1-4H3,(H,45,53)(H,46,57)(H,62,63)(H,64,65)(H2,44,48,49)(H2,59,60,61)/p-4/b12-8+/t23-,24+,28-,29-,30-,34-,35-,36+,40-,42-/m1/s1
InChIKey	VTPJEYVOLSJKNB-GDHXFCNSSA-J

ChEBI Ontology

Outgoing Relation(s)
	IC-asc-ΔC7-CoA(4−) (CHEBI:166977) is a acyl-CoA(4−) (CHEBI:58342)

UniProt Name	Source
IC-asc-ΔC7-CoA	UniProt

Citations