Glucocheirolin (BioDeep_00000003890)

human metabolite PANOMIX_OTCML-2023 Volatile Flavor Compounds

代谢物信息卡片

{[(e)-(4-methanesulphonyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}butylidene)amino]oxy}sulphonic acid

化学式: C11H21NO11S3 (439.0276716)
中文名称:
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 3.26%

分子结构信息

SMILES: CS(=O)(=O)CCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O
InChI: InChI=1S/C11H21NO11S3/c1-25(17,18)4-2-3-7(12-23-26(19,20)21)24-11-10(16)9(15)8(14)6(5-13)22-11/h6,8-11,13-16H,2-5H2,1H3,(H,19,20,21)/b12-7+

描述信息

Isolated from seeds of many crucifers. Glucocheirolin is found in many foods, some of which are brassicas, cauliflower, turnip, and swede.
Glucocheirolin is found in brassicas. Glucocheirolin is isolated from seeds of many crucifers.

同义名列表

10 个代谢物同义名

{[(e)-(4-methanesulphonyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}butylidene)amino]oxy}sulphonic acid; {[(E)-(4-methanesulfonyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}butylidene)amino]oxy}sulfonic acid; {[(e)-(4-methanesulphonyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}butylidene)amino]oxy}sulphonate; [(E)-(4-methanesulfonyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}butylidene)amino]oxysulfonic acid; {[(e)-(4-methanesulfonyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}butylidene)amino]oxy}sulfonate; 3-(Methylsulfonyl)propyl glucosinolate; 3-(Methylsufonyl)propyl glucosinolate; 3-Methylsufonylpropyl glucosinolate; Glucocheirolin; Glucocheirolin

数据库引用编号

16 个数据库交叉引用编号

KEGG: C08405
PubChem: 9573943
PubChem: 437036
PubChem: 656531
HMDB: HMDB0038407
Metlin: METLIN66948
KNApSAcK: C00001466
foodb: FDB017761
chemspider: 7848404
CAS: 15592-36-6
CAS: 554-86-9
PMhub: MS000012982
ChEBI: CHEBI:5400
PubChem: 10601
NIKKAJI: J317.922B
KNApSAcK: 5400

分类词条

代谢反应

0 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

18 个相关的物种来源信息

1282088 - Arabis allionii:
115931 - Erysimum asperum:
220481 - Erysimum capitatum:
71232 - Erysimum cheiri:
358672 - Erysimum cuspidatum: 10.1016/S0031-9422(00)84451-9
913017 - Erysimum diffusum:
1370074 - Erysimum duriaei:
450824 - Erysimum linifolium:
1370084 - Erysimum ochroleucum:
374105 - Erysimum perofskianum:
1492260 - Erysimum pulchellum: 10.1016/0031-9422(80)85117-X
1492262 - Erysimum pusillum: 10.1016/0031-9422(80)85117-X
369002 - Erysimum sisymbrioides:
9606 - Homo sapiens: -
234454 - Malcolmia africana: 10.1016/0031-9422(80)85117-X
369011 - Malcolmia littorea: 10.1016/0031-9422(80)85117-X
313683 - Malcolmia maritima: 10.1016/0031-9422(80)85117-X
569774 - 金线莲: -

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：

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。

点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。

文献列表

Mariateresa Maldini, Simona Baima, Giorgio Morelli, Cristina Scaccini, Fausta Natella. A liquid chromatography-mass spectrometry approach to study "glucosinoloma" in broccoli sprouts. Journal of mass spectrometry : JMS. 2012 Sep; 47(9):1198-206. doi: 10.1002/jms.3028. [PMID: 22972788]
Kim-Chung Lee, Man-Wai Cheuk, Wan Chan, Albert Wai-Ming Lee, Zhong-Zhen Zhao, Zhi-Hong Jiang, Zongwei Cai. Determination of glucosinolates in traditional Chinese herbs by high-performance liquid chromatography and electrospray ionization mass spectrometry. Analytical and bioanalytical chemistry. 2006 Dec; 386(7-8):2225-32. doi: 10.1007/s00216-006-0882-7. [PMID: 17086388]