CFam Chemical Families Database
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You are searching for "CFAMM00535096" in compound.

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CFAM Mol ID CFAMM00535096
Family CFFHM489 Peptides Metabolite S-(PGJ2)-glutathione Family
Superfamily CFSBM4632 Histone deacetylase 3 and Nuclear receptor corepressor 2 ligand (2S,6R,9S,12R,13S)-12-[(2S)-butan-2-yl]-13-hydroxy-6-(2-methylsulfanylethyl)-2-[(E)-4-sulfanylbut-1-enyl]-9-(sulfanylmethyl)-1-oxa-5,8,11-triazacyclopentadecane-4,7,10,15-tetrone Superfamily
Class CFCBM1617 Class 4667
External ID HMDB13060 External Source HMDB
PubChem CID 53481600 Functional Category Human Metabolite
Molecule Name S-(9-hydroxy-PGA2)-glutathione
IUPAC Name (5Z)-7-[(1R,2S)-3-{[(2S)-2-[(4R)-4-amino-4-carboxybutanamido]-2-[(carboxymethyl)carbamoyl]ethyl]sulfanyl}-5-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]hept-5-enoic acid
Synonyms 11-(S-Glutathionyl)-9-hydroxyprostaglandin A(,2);GSOHPGA2
InChi InChI=1S/C30H49N3O10S/c1-2-3-6-9-19(34)12-13-21-20(10-7-4-5-8-11-27(37)38)24(35)16-25(21)44-18-23(29(41)32-17-28(39)40)33-26(36)15-14-22(31)30(42)43/h4,7,12-13,19-25,34-35H,2-3,5-6,8-11,14-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b7-4-,13-12+/t19-,20+,21-,22+,23+,24?,25?/m0/s1
Formula C30H49N3O10S Molecular Weight 643.79
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Statistics of CFAM Database

CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.

How to cite our database

C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).

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