CHEBI:213164 - Autumnalamide

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Autumnalamide
ChEBI ID CHEBI:213164
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C46H64N10O9
Net Charge 0
Average Mass 901.079
Monoisotopic Mass 900.48577
InChI InChI=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
InChIKey GSQBGCSYZANQGB-OBWIRWOGSA-N
SMILES O=C1N2[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@@H](C(N[C@H]1CC3=CC=CC=C3)=O)CCCNC(=NCC=C(C)C)N)=O)CC4=CC=CC=C4)=O)CC(=O)O)CC(C)C)CCC2
Metabolite of Species Details
Phormidium (NCBI:txid1198) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 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 Xref Database
34981713 ChemSpider
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