EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:222115 - Auyuittuqamide A

ChEBI IDCHEBI:222115
ChEBI NameAuyuittuqamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H82N10O12
Net Charge0
Average Mass1015.264
Monoisotopic Mass1014.61137
SMILESCCC(C)[C@@H]1NC(=O)CNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)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)C)NC(=O)[C@H](CO)NC1=O
InChIInChI=1S/C50H82N10O12/c1-15-30(10)40-45(67)54-34(25-61)43(65)56-39(28(6)7)50(72)59(13)41(29(8)9)46(68)52-23-36(63)53-33(21-26(2)3)48(70)60(14)42(31(11)62)47(69)57-38(27(4)5)49(71)58(12)35(22-32-19-17-16-18-20-32)44(66)51-24-37(64)55-40/h16-20,26-31,33-35,38-42,61-62H,15,21-25H2,1-14H3,(H,51,66)(H,52,68)(H,53,63)(H,54,67)(H,55,64)(H,56,65)(H,57,69)/t30?,31?,33-,34-,35-,38-,39-,40-,41-,42-/m0/s1
InChIKeyNEPIEIPMPBPITI-GMSVCCCRSA-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 A (CHEBI:222115) is a oligopeptide (CHEBI:25676)