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CHEBI:213164 - Autumnalamide

ChEBI IDCHEBI:213164
ChEBI NameAutumnalamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H64N10O9
Net Charge0
Average Mass901.079
Monoisotopic Mass900.48577
SMILESCC(C)=CCN=C(N)NCCC[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
InChIInChI=1S/C46H64N10O9/c1-28(2)19-21-49-46(47)48-20-11-17-32-40(60)55-36(25-31-15-9-6-10-16-31)45(65)56-22-12-18-37(56)44(64)50-27-38(57)51-33(23-29(3)4)41(61)54-35(26-39(58)59)43(63)53-34(42(62)52-32)24-30-13-7-5-8-14-30/h5-10,13-16,19,29,32-37H,11-12,17-18,20-27H2,1-4H3,(H,50,64)(H,51,57)(H,52,62)(H,53,63)(H,54,61)(H,55,60)(H,58,59)(H3,47,48,49)/t32-,33+,34+,35+,36+,37-/m1/s1
InChIKeyGSQBGCSYZANQGB-OBWIRWOGSA-N
Species of MetaboliteComponentSourceComments
Phormidium (ncbitaxon:1198) - PubMed (25265024)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Autumnalamide (CHEBI:213164) is a oligopeptide (CHEBI:25676)
IUPAC Name 
2-[(3S,6R,9S,12S,15S,21R)-3,9-dibenzyl-6-[3-[[N'-(3-methylbut-2-enyl)carbamimidoyl]amino]propyl]-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosan-12-yl]acetic acid
Manual XrefsDatabases
34981713ChemSpider