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CHEBI:200517 - Salinamide B

ChEBI IDCHEBI:200517
ChEBI NameSalinamide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC51H70ClN7O15
Net Charge0
Average Mass1056.608
Monoisotopic Mass1055.46184
SMILESCC[C@@H](C)[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](C)[C@@H](O)C(C)C)[C@H](C)OC(=O)[C@H]2COC(=O)CNC(=O)/C=C\[C@@](O)(CCl)[C@H](C)Oc3ccc(cc3)[C@@H](NC1=O)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N[C@@H]([C@H](C)O)C(=O)N2
InChIInChI=1S/C51H70ClN7O15/c1-10-27(4)39-46(66)58-42-33-16-18-34(19-17-33)74-31(8)51(71,25-52)21-20-37(61)53-23-38(62)72-24-35(50(70)73-30(7)41(48(68)55-39)57-44(64)28(5)43(63)26(2)3)54-47(67)40(29(6)60)56-45(65)36(59(9)49(42)69)22-32-14-12-11-13-15-32/h11-21,26-31,35-36,39-43,60,63,71H,10,22-25H2,1-9H3,(H,53,61)(H,54,67)(H,55,68)(H,56,65)(H,57,64)(H,58,66)/b21-20-/t27-,28+,29+,30+,31+,35-,36-,39+,40+,41-,42-,43+,51-/m1/s1
InChIKeyMXWLREHUFSKYRH-CHKOLDIQSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Salinamide B (CHEBI:200517) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S,3S)-N-[(1R,7S,8S,9Z,17R,20S,21R,24S,29R,32S)-29-benzyl-24-[(2R)-butan-2-yl]-8-(chloromethyl)-8-hydroxy-32-[(1S)-1-hydroxyethyl]-7,20,28-trimethyl-11,14,18,22,25,27,30,33-octaoxo-6,15,19-trioxa-12,23,26,28,31,34-hexazatricyclo[15.9.8.22,5]hexatriaconta-2(36),3,5(35),9-tetraen-21-yl]-3-hydroxy-2,4-dimethylpentanamide
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8436019ChemSpider