CHEBI:70786 - C30 botryococcene

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ChEBI Name C30 botryococcene
ChEBI ID CHEBI:70786
ChEBI ASCII Name C30 botryococcene
Definition A triterpene that is docosa-2,6,11,16,20-pentaene bearing six methyl substituents at positions 2, 6, 10, 13, 17 and 21 as well as a vinyl substituent at position 10 (with all-E-configuration).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C30H50
Net Charge 0
Average Mass 410.71800
Monoisotopic Mass 410.39125
InChI InChI=1S/C30H50/c1-10-30(9,23-14-21-28(7)18-12-16-26(4)5)24-22-29(8)20-13-19-27(6)17-11-15-25(2)3/h10,15-16,19,21-22,24,29H,1,11-14,17-18,20,23H2,2-9H3/b24-22+,27-19+,28-21+/t29-,30-/m1/s1
InChIKey LRCNPQXZCZKGDI-OFGMELEWSA-N
SMILES C[C@H](CC\C=C(/C)CCC=C(C)C)\C=C\[C@@](C)(CC\C=C(/C)CCC=C(C)C)C=C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing C30 botryococcene (CHEBI:70786) has role metabolite (CHEBI:25212)
C30 botryococcene (CHEBI:70786) is a triterpene (CHEBI:35191)
Incoming 20-methyl-21,22-didehydro-20,21-dihydrobotryococcene (CHEBI:70864) has functional parent C30 botryococcene (CHEBI:70786)
3,20-dimethyl-1,2,21,22-tetradehydro-2,3,20,21-tetrahydrobotryococcene (CHEBI:70865) has functional parent C30 botryococcene (CHEBI:70786)
3-methyl-1,2-didehydro-2,3-dihydrobotryococcene (CHEBI:70863) has functional parent C30 botryococcene (CHEBI:70786)
IUPAC Name
(6E,10S,11E,13R,16E)-10-ethenyl-2,6,10,13,17,21-hexamethyldocosa-2,6,11,16,20-pentaene
Synonyms Sources
(10S,13R)-10-ethenyl-2,6,10,13,17,21-hexamethyldocosa-2,5,11,16,20-pentaene SUBMITTER
(10S,13R)-C30 botryococcene ChEBI
(6E,10S,11E,13R,16E)-2,6,10,13,17,21-hexamethyl-10-vinyldocosa-2,6,11,16,20-pentaene IUPAC
C30 botryococcene UniProt
Manual Xref Database
CPD-10662 MetaCyc
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Registry Number Type Source
22597362 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
21746901 PubMed citation SUBMITTER
22524150 PubMed citation Europe PMC
Last Modified
09 November 2012