input word = C00016026

Metabolite InformationStructural formula
Name B 057-250B
Micacocidin A
Formula C27H37N3O4S3Zn
Mw 563.19461888
CAS RN 176950-36-0
C_ID C00016026 ,
InChIKey KZAWXYROUMCPEQ-UHFFFAOYNA-L
InChICode InChI=1S/C27H39N3O4S3.Zn/c1-6-7-8-10-16-11-9-12-19(31)20(16)22-28-17(13-35-22)23-30(5)18(14-36-23)21(32)26(2,3)24-29-27(4,15-37-24)25(33)34;/h9,11-12,17-18,21,23,31-32H,6-8,10,13-15H2,1-5H3,(H,33,34);/q;+2/p-2/t17-,18+,21+,23-,27+;/m1./s1
SMILES [N]12=C3c4c(cccc4[O-][Zn+2]451[N@]1([C@@H](CS[C@@H]1[C@H]2CS3)[C@H](O)C(C1=[N]4[C@](C(=O)[O-]5)(CS1)C)(C)C)C)CCCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaPseudomonadaceaePseudomonas sp. No.57-250 Ref.
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