4'-アポ-β,ψ-カロテン-4'-酸

(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

HCID 637039CAS 2468-88-4

部分構造検索類似構造を探す

基本情報

標準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
分子式: C35H46O2
平均分子量: 498.7 g/mol
単同位体質量: 498.34978071

概要

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-).

名称と識別子

優先名称: (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
現地名: 4'-アポ-β,ψ-カロテン-4'-酸
英語名: 4'-Apo-β,ψ-caroten-4'-oic acid
分子式: C35H46O2
分子量: 498.74

名称と別名

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

名称をさらに表示

ノイロスポラキサンチンall-trans-ノイロスポラキサンチン4'-アポ-β,ψ-カロテン-4'-酸4′-アポ-β,ψ-カロテン-4′-酸(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19-ペンタメチル-21-(2,6,6-トリメチルシクロヘキサ-1-エン-1-イル)ヘンイコサ-2,4,6,8,10,12,14,16,18,20-デカエン酸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

データベース識別子

CAS: 2468-88-4
PubChem CID: 637039
DTXSID: DTXSID50348404
ChEBI: CHEBI:7540
Nikkaji: J13.795B

物性

構造計算による物性

XLogP: 11.4
極性表面積: 37.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 11
重原子数: 37
形式電荷: 0
複雑度: 1,130

実験および物理化学的性質

LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C40 isoprenoids (tetraterpenes) [PR0107]

化学と産業

補足説明

定義ChEBI: A monocarboxylic acid that results from the oxidation of the aldehyde group of 4'-apo-beta-carotenal to the corresponding carboxylic acid.