input word = C00026786

Metabolite InformationStructural formula
Name Hemiasterlin A
Formula C29H44N4O4
Mw 512.33625592
CAS RN 169181-24-2
C_ID C00026786 ,
InChIKey CWGCIGQBFBEZLP-NDHURFOINA-N
InChICode InChI=1S/C29H44N4O4/c1-17(2)22(15-18(3)27(36)37)33(10)26(35)24(28(4,5)6)32-25(34)23(30-9)29(7,8)20-16-31-21-14-12-11-13-19(20)21/h11-17,22-24,30-31H,1-10H3,(H,32,34)(H,36,37)/b18-15+/t22-,23-,24-/m1/s1
SMILES CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(C)C(=O)O)C(C)C)C(C)(C)C)C(C)(C)c1c[nH]c2ccccc12
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate Indole-3 GGPP L-His
Organism
Kingdom Family Species Reference
AnimaliaAxinellidaeCymbastela sp. Ref.
--Hemiasterella minor Ref.
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