all-trans-18-Hydroxyretinoic acid (BioDeep_00000032668)

 

Secondary id: BioDeep_00000014640

human metabolite Endogenous Chemicals and Drugs


代谢物信息卡片


(2E,4E,6E,8E)-9-[2-(hydroxymethyl)-6,6-dimethylcyclohex-1-en-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid

  化学式: C20H28O3 (316.2038)
中文名称:
  谱图信息: 最多检出来源 Homo sapiens(blood) 26.88%

分子结构信息

SMILES: C1(/C=C/C(/C)=C/C=C/C(/C)=C/C(=O)O)=C(CO)CCCC1(C)C
InChI: InChI=1S/C20H28O3/c1-15(7-5-8-16(2)13-19(22)23)10-11-18-17(14-21)9-6-12-20(18,3)4/h5,7-8,10-11,13,21H,6,9,12,14H2,1-4H3,(H,22,23)/b8-5+,11-10+,15-7+,16-13+


描述信息

all-trans-18-Hydroxyretinoic acid, also known as 18-hydroxyretinoic acid, is classified as a member of the retinoids. Retinoids are oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof. all-trans-18-Hydroxyretinoic acid is considered to be a practically insoluble (in water) and a weakly acidic compound. all-trans-18-Hydroxyretinoic acid is an isoprenoid lipid molecule. Within a cell, all-trans-18-hydroxyretinoic acid is primarily located in the extracellular space and near the membrane. 18-Hydroxyretinoic acid is a metabolite of tretinoin. Tretinoin is the acid form of vitamin A and is also known as all-trans retinoic acid or ATRA. It is a drug commonly used to treat acne vulgaris and keratosis pilaris. It is available as a cream or gel (brand names Aberela, Airol, Renova, Atralin, Retin-A, Avita, Retacnyl, Refissa, or Stieva-A). It is also used to treat acute promyelocytic leukemia (APL) and is sold for this indication by Roche under the brand name Vesanoid. It is also available as a generic. (Wikipedia)
A human metabolite taken as a putative food compound of mammalian origin [HMDB]

同义名列表

11 个代谢物同义名

(2E,4E,6E,8E)-9-[2-(hydroxymethyl)-6,6-dimethylcyclohex-1-en-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid; all-trans-9-(2-(Hydroxymethyl)-6,6-dimethyl-1-cyclohexen-1-yl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid; all-trans-9-(2-(Hydroxymethyl)-6,6-dimethyl-1-cyclohexen-1-yl)-3,7-dimethyl-2,4,6,8-nonatetraenoate; rac-18-Hydroxy-all-trans-retinoic acid; rac-18-Hydroxy-all-trans-retinoate; 18-Hydroxy-all-trans-retinoic acid; all-trans-18-Hydroxyretinoic acid; 18-Hydroxy-all-trans-retinoate; all-trans-18-Hydroxyretinoate; 18-Hydroxyretinoic acid; 18-Hydroxyretinoate



数据库引用编号

10 个数据库交叉引用编号

分类词条

相关代谢途径

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代谢反应

0 个相关的代谢反应过程信息。

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1 个相关的物种来源信息

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  • PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
  • NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
  • Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
  • Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

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