input word = C00016028

Metabolite InformationStructural formula
Name Micacocidin C
Formula C27H36FeN3O4S3
Mw 618.12173565
CAS RN 176950-37-1
C_ID C00016028 ,
InChIKey QUSDXGPRFWKPII-UHFFFAOYNA-L
InChICode InChI=1S/C27H38N3O4S3.Fe/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;/h9,11-12,17-18,21,23,31H,6-8,10,13-15H2,1-5H3,(H,33,34);/q-1;+2/p-2/t17-,18-,21-,23-,27-;/m1./s1
SMILES CCCCCc1cccc([O-])c1C1=NC(C2SCC(C([O-])C(C)(C)C3=NC(C)(C(=O)[O-])CS3)N2C)CS1.[Fe+2]
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaPseudomonadaceaePseudomonas sp. No.57-250 Ref.
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