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CHEBI:7540 - neurosporaxanthin

ChEBI IDCHEBI:7540
ChEBI Nameneurosporaxanthin
Stars
DefinitionA monocarboxylic acid that results from the oxidation of the aldehyde group of 4'-apo-β-carotenal to the corresponding carboxylic acid.
Last Modified28 July 2014
DownloadsMolfile
FormulaC35H46O2
Net Charge0
Average Mass498.751
Monoisotopic Mass498.34978
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)C(=O)O)C(C)(C)CCC1
InChIInChI=1S/C35H46O2/c1-27(17-11-19-29(3)21-13-22-32(6)34(36)37)15-9-10-16-28(2)18-12-20-30(4)24-25-33-31(5)23-14-26-35(33,7)8/h9-13,15-22,24-25H,14,23,26H2,1-8H3,(H,36,37)/b10-9+,17-11+,18-12+,21-13+,25-24+,27-15+,28-16+,29-19+,30-20+,32-22+
InChIKeyUGJYMKZYSUMAKJ-ZGMBEONKSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
neurosporaxanthin (CHEBI:7540) is a apo carotenoid C35 terpenoid (CHEBI:53185)
neurosporaxanthin (CHEBI:7540) is a monocarboxylic acid (CHEBI:25384)
neurosporaxanthin (CHEBI:7540) is conjugate acid of neurosporaxanthin(1−) (CHEBI:63069)
Incoming Relation(s)
neurosporaxanthin(1−) (CHEBI:63069) is conjugate base of neurosporaxanthin (CHEBI:7540)
IUPAC Name 
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19-pentamethyl-21-(2,6,6-trimethylcyclohex-1-en-1-yl)henicosa-2,4,6,8,10,12,14,16,18,20-decaenoic acid
Synonyms  Source
4'-apo-β,ψ-caroten-4'-oic acidChEBI
all-trans-2,6,10,15,19-pentamethyl-21-(2,6,6-trimethylcyclohex-1-en-1-yl)henicosa-2,4,6,8,10,12,14,16,18,20-decaenoic acidChEBI
4'-apo-β-caroten-4'-oic acidChEBI
all-trans-neurosporaxanthinKEGG COMPOUND
β-apo-4'-carotenoic acidChEBI
Manual XrefsDatabases
C08607KEGG COMPOUND
CPD-12930MetaCyc
LMPR01070279LIPID MAPS
C00003781KNApSAcK
Registry NumbersSources
Reaxys:2634134Reaxys
CAS:2468-88-4KEGG COMPOUND
Citations