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CHEBI:3918 - crocetin

ChEBI IDCHEBI:3918
ChEBI Namecrocetin
Stars
DefinitionA 20-carbon dicarboxylic acid which is a diterpenoid and natural carotenoid. Found in the crocus flower, it has been administered as an anti-fatigue dietary supplement.
Last Modified15 February 2017
DownloadsMolfile
FormulaC20H24O4
Net Charge0
Average Mass328.408
Monoisotopic Mass328.16746
SMILESCC(/C=C/C=C(\C)C(=O)O)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)O
InChIInChI=1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+
InChIKeyPANKHBYNKQNAHN-MQQNZMFNSA-N
Wikipedia
Roles Classification
Chemical Roles:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
nutraceutical  A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance.
ChEBI Ontology
Outgoing Relation(s)
crocetin (CHEBI:3918) has role antioxidant (CHEBI:22586)
crocetin (CHEBI:3918) has role metabolite (CHEBI:25212)
crocetin (CHEBI:3918) has role nutraceutical (CHEBI:50733)
crocetin (CHEBI:3918) is a carotenoic acid (CHEBI:35311)
crocetin (CHEBI:3918) is a diterpenoid (CHEBI:23849)
crocetin (CHEBI:3918) is a polyunsaturated dicarboxylic acid (CHEBI:134531)
crocetin (CHEBI:3918) is conjugate acid of crocetin(2−) (CHEBI:62767)
Incoming Relation(s)
bis(β-D-glucosyl) crocetin (CHEBI:62768) has functional parent crocetin (CHEBI:3918)
β-D-gentiobiosyl crocetin (CHEBI:62769) has functional parent crocetin (CHEBI:3918)
β-D-glucosyl crocetin (CHEBI:62765) has functional parent crocetin (CHEBI:3918)
crocetin(2−) (CHEBI:62767) is conjugate base of crocetin (CHEBI:3918)
IUPAC Names 
8,8'-diapocarotene-8,8'-dioic acid
(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid
Synonyms  Source
CrocetinKEGG COMPOUND
8,8'-diapo-8,8'-carotenedioic acidIUBMB
8,8'-diapocarotenedioic acidChemIDplus
8,8'-diapo-ψ,ψ-carotenedioic acidChemIDplus
trans-crocetinChEBI
Manual XrefsDatabases
C08588KEGG COMPOUND
LMPR0104010020LIPID MAPS
CPD-8662MetaCyc
CrocetinWikipedia
C00003768KNApSAcK
Registry NumbersSources
Reaxys:1715455Reaxys
CAS:27876-94-4KEGG COMPOUND
CAS:27876-94-4ChemIDplus
Citations