CHEBI:226982 - Kurahyne

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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 Kurahyne
ChEBI ID CHEBI:226982
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C47H78N6O7
Net Charge 0
Average Mass 839.176
Monoisotopic Mass 838.59320
InChI InChI=1S/C47H78N6O7/c1-16-20-21-22-25-34(11)42(55)50(14)40(32(9)17-2)46(59)51(15)41(33(10)18-3)45(58)48(12)38(30(5)6)44(57)49(13)39(31(7)8)47(60)53-29-24-27-36(53)43(56)52-28-23-26-35(52)37(54)19-4/h1,25,30-33,35-36,38-41H,17-24,26-29H2,2-15H3/b34-25+/t32-,33-,35-,36-,38-,39-,40-,41-/m0/s1
InChIKey LXNZOJGPYBTQHD-BTEYVOOESA-N
SMILES O=C(N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1[C@H](C(=O)N2[C@H](C(=O)CC)CCC2)CCC1)C(C)C)C)C(C)C)C)[C@H](CC)C)C)[C@H](CC)C)C)/C(=C/CCCC#C)/C
Metabolite of Species Details
Lyngbya (NCBI:txid28073) See: DOI
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Kurahyne (CHEBI:226982) is a peptide (CHEBI:16670)
IUPAC Name
(E)-N,2-dimethyl-N-[(2S,3S)-3-methyl-1-[methyl-[(2S,3S)-3-methyl-1-[methyl-[(2S)-3-methyl-1-[methyl-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(2S)-2-propanoylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]oct-2-en-7-ynamide
Manual Xref Database
32675060 ChemSpider
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