CHEBI:172782 - 6-Geranylgeranyl 8'-methyl 6,8'-diapocarotene-6,8'-dioate

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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 6-Geranylgeranyl 8'-methyl 6,8'-diapocarotene-6,8'-dioate
ChEBI ID CHEBI:172782
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C43H60O4
Net Charge 0
Average Mass 640.949
Monoisotopic Mass 640.44916
InChI InChI=1S/C43H60O4/c1-34(2)18-13-21-37(5)23-14-24-38(6)25-16-27-40(8)32-33-47-42(44)31-30-39(7)26-15-22-35(3)19-11-12-20-36(4)28-17-29-41(9)43(45)46-10/h11-12,15,17-20,22-23,25-26,28-32H,13-14,16,21,24,27,33H2,1-10H3/b12-11+,22-15+,28-17+,31-30+,35-19+,36-20+,37-23+,38-25+,39-26+,40-32+,41-29+
InChIKey KJAWBWQJDQHEDL-KQTSZGLPSA-N
SMILES O(C\C=C(\CC\C=C(\CC\C=C(\CCC=C(C)C)/C)/C)/C)C(=O)/C=C/C(/C)=C/C=C/C(=C/C=C/C=C(/C=C/C=C(\C)/C(OC)=O)\C)/C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing 6-Geranylgeranyl 8'-methyl 6,8'-diapocarotene-6,8'-dioate (CHEBI:172782) is a diterpenoid (CHEBI:23849)
IUPAC Name
1-O-methyl 18-O-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] (2E,4E,6E,8E,10E,12E,14E,16E)-2,6,11,15-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaenedioate
Manual Xrefs Databases
30777066 ChemSpider
HMDB0034770 HMDB
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