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CHEBI:222128 - Auyuittuqamide D

ChEBI IDCHEBI:222128
ChEBI NameAuyuittuqamide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H86N10O12
Net Charge0
Average Mass1043.318
Monoisotopic Mass1042.64267
SMILESCCC(C)[C@@H]1NC(=O)CNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)CC)NC(=O)[C@H](C(C)O)N(C)C(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)CC)NC(=O)[C@H](CO)NC1=O
InChIInChI=1S/C52H86N10O12/c1-15-30(8)40-47(69)56-36(27-63)45(67)58-42(32(10)17-3)52(74)61(13)43(29(6)7)48(70)54-25-38(65)55-35(23-28(4)5)50(72)62(14)44(33(11)64)49(71)59-41(31(9)16-2)51(73)60(12)37(24-34-21-19-18-20-22-34)46(68)53-26-39(66)57-40/h18-22,28-33,35-37,40-44,63-64H,15-17,23-27H2,1-14H3,(H,53,68)(H,54,70)(H,55,65)(H,56,69)(H,57,66)(H,58,67)(H,59,71)/t30?,31?,32?,33?,35-,36-,37-,40-,41-,42-,43-,44-/m0/s1
InChIKeyIPCZOWDKWCZGNZ-PZFLSJCKSA-N
Species of MetaboliteComponentSourceComments
Sesquicillium (ncbitaxon:122396) - PubMed (33356241)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Auyuittuqamide D (CHEBI:222128) is a oligopeptide (CHEBI:25676)