CFam Chemical Families Database
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You are searching for "CFAMM00536895" in compound.

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CFAM Mol ID CFAMM00536895
Family CFFHM732 Amino Acids and Derivatives Metabolite AK toxin I Family
Superfamily CFSID2681 Tyrosinase Inhibitor Kojic Acid-phenylalanine Amide Superfamily
Class CFCID1587 Class 2937
External ID HMDB30401 External Source HMDB
PubChem CID 46173828 Functional Category Human Metabolite
Molecule Name AK toxin I
IUPAC Name (2E,4Z,6E)-8-[(2-acetamido-3-phenylbutanoyl)oxy]-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic acid
Synonyms AK-toxin I;N-Acetyl-b-methyl-L-phenylalanine 7-carboxy-1-(2-methyloxiranyl)-2,4,6-heptatrienyl ester, 9CI
InChi InChI=1S/C23H27NO6/c1-16(18-11-7-6-8-12-18)21(24-17(2)25)22(28)30-19(23(3)15-29-23)13-9-4-5-10-14-20(26)27/h4-14,16,19,21H,15H2,1-3H3,(H,24,25)(H,26,27)/b5-4-,13-9+,14-10+
Formula C23H27NO6 Molecular Weight 413.46
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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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