CHEBI:166977 - IC-asc-ΔC7-CoA(4−)

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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 IC-asc-ΔC7-CoA(4−)
ChEBI ID CHEBI:166977
ChEBI ASCII Name IC-asc-DeltaC7-CoA(4-)
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C43H57N8O22P3S
Net Charge -4
Average Mass 1162.950
Monoisotopic Mass 1162.25429
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
SMILES C(=C/C(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]1O[C@@H](N2C3=C(C(=NC=N3)N)N=C2)[C@@H]([C@@H]1OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)=O)\CC[C@H](O[C@@H]4O[C@@H](C)[C@@H](C[C@H]4O)OC(C=5C=6C=CC=CC6NC5)=O)C
ChEBI Ontology
Outgoing IC-asc-ΔC7-CoA(4−) (CHEBI:166977) is a acyl-CoA(4−) (CHEBI:58342)
Synonym Source
IC-asc-ΔC7-CoA UniProt
Citations Types Sources
25775534 PubMed citation SUBMITTER
29863473 PubMed citation SUBMITTER