input word = C00015724

Metabolite InformationStructural formula
Name Pacidamycin 5T
Formula C36H44N8O12
Mw 780.30786893
CAS RN 328110-92-5
C_ID C00015724 ,
InChIKey IITFQSGNPIUSKU-LSZBITNCNA-N
InChICode InChI=1S/C36H44N8O12/c1-18(39-35(54)40-26(34(52)53)15-21-7-5-9-23(46)13-21)30(49)42-29(19(2)43(3)32(51)25(37)14-20-6-4-8-22(45)12-20)31(50)38-17-24-16-27(47)33(56-24)44-11-10-28(48)41-36(44)55/h4-13,17-19,25-27,29,33,45-47H,14-16,37H2,1-3H3,(H,38,50)(H,42,49)(H,52,53)(H2,39,40,54)(H,41,48,55)/b24-17-/t18-,19-,25-,26-,27+,29-,33+/m0/s1
SMILES C[C@H](NC(=O)N[C@@H](Cc1cccc(c1)O)C(=O)O)C(=O)N[C@H](C(=O)N/C=C\1/C[C@H]([C@@H](O1)n1c(=O)[nH]c(=O)cc1)O)[C@H](C)N(C)C(=O)[C@@H](N)Cc1cc(ccc1)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces coeruleorubidus NRRL 18370 Ref.
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