input word = C00014998

Metabolite InformationStructural formula
Name Pseudoalterobactin B
Formula C41H63N13O21S
Mw 1105.3982169
CAS RN 691850-61-0
C_ID C00014998 ,
InChIKey FMENUGFMERBZKJ-UHFFFAOYNA-N
InChICode InChI=1S/C41H63N13O21S/c42-18(6-1-3-12-47-33(63)17-9-10-23(76(73,74)75)30(60)29(17)59)22(55)15-25(57)50-21(14-24(43)56)36(66)54-28(32(62)40(71)72)38(68)52-19-7-2-4-11-46-26(58)16-49-37(67)27(31(61)39(69)70)53-35(65)20(51-34(19)64)8-5-13-48-41(44)45/h9-10,18-22,27-28,31-32,55,59-62H,1-8,11-16,42H2,(H2,43,56)(H,46,58)(H,47,63)(H,49,67)(H,50,57)(H,51,64)(H,52,68)(H,53,65)(H,54,66)(H,69,70)(H,71,72)(H4,44,45,48)(H,73,74,75)/t18-,19-,20-,21+,22+,27-,28+,31+,32-/m1/s1
SMILES c1(c(ccc(c1O)C(=O)NCCCC[C@@H](N)[C@H](CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1CCCCNC(=O)CNC(=O)[C@H](NC(=O)[C@H](NC1=O)CCCNC(=N)N)[C@@H](C(=O)O)O)[C@@H](O)C(=O)O)CC(=O)N)O)S(=O)(=O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
BacteriaAlteromonadaceaePseudoalteromonas sp. KP20-4 Ref.
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