CHEBI:207274 - Hantupeptin B

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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 B
ChEBI ID CHEBI:207274
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H62N4O8
Net Charge 0
Average Mass 738.967
Monoisotopic Mass 738.45676
InChI InChI=1S/C41H62N4O8/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/h11,14,16-17,19-20,25-28,30-35H,1,12-13,15,18,21-24H2,2-10H3,(H,42,46)/t27-,28+,30-,31-,32-,33-,34-,35-/m0/s1
InChIKey MGCXOVOYIFZHHZ-MJZFXANDSA-N
SMILES O=C1O[C@H](C(=O)N2[C@H](C(=O)N([C@H](C(=O)O[C@H]([C@H](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 B (CHEBI:207274) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6S,9S,12R,13S,16S,19S)-3-benzyl-6-[(2S)-butan-2-yl]-7,12,17-trimethyl-13-pent-4-enyl-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
27024581 ChemSpider
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