CHEBI:205784 - Hantupeptin A

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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 Hantupeptin A
ChEBI ID CHEBI:205784
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H60N4O8
Net Charge 0
Average Mass 736.951
Monoisotopic Mass 736.44111
InChI InChI=1S/C41H60N4O8/c1-11-13-15-22-31-28(8)36(46)42-33(25(3)4)39(49)44(10)35(27(7)12-2)41(51)53-32(24-29-19-16-14-17-20-29)38(48)45-23-18-21-30(45)37(47)43(9)34(26(5)6)40(50)52-31/h1,14,16-17,19-20,25-28,30-35H,12-13,15,18,21-24H2,2-10H3,(H,42,46)/t27-,28?,30-,31-,32-,33-,34-,35-/m0/s1
InChIKey QEERUAVEBIAUIV-QUIBGUPGSA-N
SMILES O=C1O[C@H](C(=O)N2[C@H](C(=O)N([C@H](C(=O)O[C@H](C(C(N[C@H](C(N([C@H]1[C@H](CC)C)C)=O)C(C)C)=O)C)CCCC#C)C(C)C)C)CCC2)CC3=CC=CC=C3
Metabolite of Species Details
Lyngbya majuscula (NCBI:txid158786) 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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Hantupeptin A (CHEBI:205784) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6S,9S,13S,16S,19S)-3-benzyl-6-[(2S)-butan-2-yl]-7,12,17-trimethyl-13-pent-4-ynyl-9,16-di(propan-2-yl)-4,14-dioxa-1,7,10,17-tetrazabicyclo[17.3.0]docosane-2,5,8,11,15,18-hexone
Manual Xref Database
24622032 ChemSpider
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