CHEBI:15459 - (3S)-citryl-CoA

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ChEBI Name (3S)-citryl-CoA ChEBI ID CHEBI:15459 ChEBI ASCII Name (3S)-citryl-CoA Definition An (S)-3-hydroxyacyl-CoA having (3S)-citryl as the S-acyl group Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:10891, CHEBI:216, CHEBI:18572 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H42N7O22P3S Net Charge 0 Average Mass 941.640 Monoisotopic Mass 941.13165 InChI InChI=1S/C27H42N7O22P3S/c1-26(2,20(40)23(41)30-4-3-14(35)29-5-6-60-16(38)8-27(44,25(42)43)7-15(36)37)10-53-59(50,51)56-58(48,49)52-9-13-19(55-57(45,46)47)18(39)24(54-13)34-12-33-17-21(28)31-11-32-22(17)34/h11-13,18-20,24,39-40,44H,3-10H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,42,43)(H,48,49)(H,50,51)(H2,28,31,32)(H2,45,46,47)/t13-,18-,19-,20+,24-,27+/m1/s1 InChIKey IHVFHZGGMJDGGZ-VPXVXCNZSA-N SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)C[C@@](C(=O)O)(O)CC(=O)O)=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O Roles Classification Chemical Role(s): acyl donor Any donor that can transfer acyl groups between molecular entities. (via acyl-CoA ) View more via ChEBI Ontology ChEBI Ontology Outgoing (3S)-citryl-CoA (CHEBI:15459) has functional parent citric acid (CHEBI:30769) (3S)-citryl-CoA (CHEBI:15459) has functional parent coenzyme A (CHEBI:15346) (3S)-citryl-CoA (CHEBI:15459) is a (S)-3-hydroxyacyl-CoA (CHEBI:15455) (3S)-citryl-CoA (CHEBI:15459) is conjugate acid of (3S)-citryl-CoA(6−) (CHEBI:57321) Incoming (3S)-citryl-CoA(6−) (CHEBI:57321) is conjugate base of (3S)-citryl-CoA (CHEBI:15459) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3S)-3,4-dicarboxy-3-hydroxybutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Synonyms Sources (3S)-citryl-CoA ChEBI (3S)-Citryl-CoA KEGG COMPOUND Manual Xrefs Databases C00566 KEGG COMPOUND LMFA07050120 LIPID MAPS View more database links Citations Types Sources 6812626 PubMed citation Europe PMC 6838572 PubMed citation Europe PMC 6861748 PubMed citation Europe PMC 7227518 PubMed citation Europe PMC Last Modified 17 December 2019