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CHEBI:223957 - Promotriocin A

ChEBI IDCHEBI:223957
ChEBI NamePromotriocin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H37N11O8S2
Net Charge0
Average Mass815.895
Monoisotopic Mass815.22680
SMILESC=C(NC(=O)c1ccc2c(n1)-c1nc(oc1C)[C@H](C)NC(=O)c1csc(n1)[C@H](C)NC(=O)c1nc(oc1C)CNC(=O)[C@H](C(C)C)NC(=O)c1csc-2n1)C(N)=O
InChIInChI=1S/C36H37N11O8S2/c1-13(2)24-32(52)38-10-23-45-26(18(7)54-23)33(53)41-16(5)35-43-21(11-56-35)30(50)40-15(4)34-47-25(17(6)55-34)27-19(36-44-22(12-57-36)31(51)46-24)8-9-20(42-27)29(49)39-14(3)28(37)48/h8-9,11-13,15-16,24H,3,10H2,1-2,4-7H3,(H2,37,48)(H,38,52)(H,39,49)(H,40,50)(H,41,53)(H,46,51)/t15-,16-,24-/m0/s1
InChIKeyOUTWOIXDJMCBPB-YWTKSJFSSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.7164/antibiotics.47.510)
ChEBI Ontology
Outgoing Relation(s)
Promotriocin A (CHEBI:223957) is a azamacrocycle (CHEBI:52898)
Promotriocin A (CHEBI:223957) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(12S,19S,29S)-N-(3-amino-3-oxoprop-1-en-2-yl)-9,12,19,23-tetramethyl-14,21,28,31-tetraoxo-29-propan-2-yl-10,24-dioxa-17,34-dithia-6,13,20,27,30,35,36,37,38-nonazahexacyclo[30.2.1.18,11.115,18.122,25.02,7]octatriaconta-1(35),2(7),3,5,8,11(38),15,18(37),22,25(36),32-undecaene-5-carboxamide
Manual XrefsDatabases
8163575ChemSpider