CHEBI:156383 - 3-hydroxylauroyl-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 3-hydroxylauroyl-CoA(4−)
ChEBI ID CHEBI:156383
ChEBI ASCII Name 3-hydroxylauroyl-CoA(4-)
Stars This entity has been manually annotated by a third party.
Submitter Elisabeth COUDERT
Supplier Information
Download Molfile XML SDF
Formula C33H54N7O18P3S
Net Charge -4
Average Mass 961.810
Monoisotopic Mass 961.24808
InChI InChI=1S/C33H58N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h19-22,26-28,32,41,44-45H,4-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/p-4/t21?,22-,26-,27-,28+,32-/m1/s1
InChIKey IJFLXRCJWPKGKJ-XIRPNGCASA-J
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)CC(O)CCCCCCCCC)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
ChEBI Ontology
Outgoing 3-hydroxylauroyl-CoA(4−) (CHEBI:156383) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546)
Synonym Source
3-hydroxydodecanoyl-CoA UniProt