CHEBI:191062 - N-acetyl-s-geranylgeranyl-l-cysteine

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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 N-acetyl-s-geranylgeranyl-l-cysteine
ChEBI ID CHEBI:191062
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C25H41NO3S
Net Charge 0
Average Mass 435.670
Monoisotopic Mass 435.28072
InChI InChI=1S/C25H41NO3S/c1-19(2)10-7-11-20(3)12-8-13-21(4)14-9-15-22(5)16-17-30-18-24(25(28)29)26-23(6)27/h10,12,14,16,24H,7-9,11,13,15,17-18H2,1-6H3,(H,26,27)(H,28,29)/b20-12+,21-14+,22-16+/t24-/m0/s1
InChIKey PKFBJSDMCRJYDC-GEZSXCAASA-N
SMILES S(C\C=C(\CC\C=C(\CC\C=C(\CCC=C(C)C)/C)/C)/C)C[C@H](NC(=O)C)C(O)=O
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in INS-1 cell (BTO:0002135). See: MetaboLights Study
ChEBI Ontology
Outgoing N-acetyl-s-geranylgeranyl-l-cysteine (CHEBI:191062) is a diterpenoid (CHEBI:23849)
IUPAC Name
(2R)-2-acetamido-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulanylpropanoic acid
Manual Xrefs Databases
9750483 ChemSpider
LSM-43232 LINCS
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Registry Number Type Source
139332-94-8 CAS Registry Number ChemIDplus