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CHEBI:221283 - Aeruginosin 892

ChEBI IDCHEBI:221283
ChEBI NameAeruginosin 892
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SubmitterMetaboLights
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FormulaC43H68N6O14
Net Charge0
Average Mass893.045
Monoisotopic Mass892.47935
SMILESCCCCCCCC(=O)OC1CC2CC(C(=O)NCCCCN=C(N)N)N(C(=O)C(CC(C)C)NC(=O)C(O)Cc3ccc(O)cc3)C2CC1OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C43H68N6O14/c1-4-5-6-7-8-11-33(52)61-31-21-25-20-29(38(56)46-16-9-10-17-47-43(44)45)49(28(25)22-32(31)62-42-36(55)34(53)35(54)37(63-42)41(59)60)40(58)27(18-23(2)3)48-39(57)30(51)19-24-12-14-26(50)15-13-24/h12-15,23,25,27-32,34-37,42,50-51,53-55H,4-11,16-22H2,1-3H3,(H,46,56)(H,48,57)(H,59,60)(H4,44,45,47)
InChIKeyMBKDOQVHLHHSHA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Aeruginosin 892 (CHEBI:221283) is a leucine derivative (CHEBI:47003)
IUPAC Name 
6-[[2-[4-(diaminomethylideneamino)butylcarbamoyl]-1-[2-[[2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]-5-octanoyloxy-2,3,3a,4,5,6,7,7a-octahydroindol-6-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid