Basic information
- CAS
2468-88-4- Standard SMILES
CC1=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- InChIKey
UGJYMKZYSUMAKJ-ZGMBEONKSA-N- Molecular formula
- C35H46O2
- Average molar mass
- 498.7 g/mol
- Monoisotopic mass
- 498.34978071
Overview
Neurosporaxanthin is a monocarboxylic acid that results from the oxidation of the aldehyde group of 4'-apo-beta-carotenal to the corresponding carboxylic acid. It is a monocarboxylic acid and an apo carotenoid C35 terpenoid. It is a conjugate acid of a neurosporaxanthin(1-).
Names & identifiers
- Preferred name
- (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19-Pentamethyl-21-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8,10,12,14,16,18,20-heneicosadecaenoic acid
- IUPAC
- (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19-pentamethyl-21-(2,6,6-trimethylcyclohexen-1-yl)henicosa-2,4,6,8,10,12,14,16,18,20-decaenoic acid
- English name
- 4'-Apo-β,ψ-caroten-4'-oic acid
- Molecular formula
- C35H46O2
- Molecular weight
- 498.74
Names & synonyms
Neurosporaxanthinall-trans-Neurosporaxanthin2468-88-4beta-apo-4'-carotenoic acidCHEBI:7540(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19-pentamethyl-21-(2,6,6-trimethylcyclohexen-1-yl)henicosa-2,4,6,8,10,12,14,16,18,20-decaenoic acidDTXSID50348404RefChem:905813DTXCID40299476(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19-Pentamethyl-21-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8,10,12,14,16,18,20-heneicosadecaenoic acid4'-apo-beta-caroten-4'-oic acid4'-apo-beta,psi-caroten-4'-oic acid
Show more names
4'-Apo-β,ψ-caroten-4'-oic acid
(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 acid2,4,6,8,10,12,14,16,18,20-heneicosadecaenoic acid, 2,6,10,15,19-pentamethyl-21-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-4'-Apo-.beta.,.psi.-carotenoic acid4'-Apo-.gamma.-carotenoic acid, all-trans-Neurosporaxanthin, all-trans-SCHEMBL1144984'-Apo-.gamma.-carotenoic acidLMPR01070206
Properties
Computed structural properties
- XLogP
- 11.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,130
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C40 isoprenoids (tetraterpenes) [PR0107]
Chemistry & industry
Additional notes
DefinitionChEBI: A monocarboxylic acid that results from the oxidation of the aldehyde group of 4'-apo-beta-carotenal to the corresponding carboxylic acid.
Related reactions
1 records
Compound notes
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