CHEBI:205299 - Tasipeptin 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 Tasipeptin B
ChEBI ID CHEBI:205299
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H62N6O9
Net Charge 0
Average Mass 770.969
Monoisotopic Mass 770.45783
InChI InChI=1S/C40H62N6O9/c1-10-14-31(47)43-34-25(8)55-40(54)33(24(6)7)44-36(50)29(21-26-15-12-11-13-16-26)45(9)39(53)30(20-23(4)5)46-32(48)18-17-27(38(46)52)41-35(49)28(19-22(2)3)42-37(34)51/h11-13,15-16,22-25,27-30,32-34,48H,10,14,17-21H2,1-9H3,(H,41,49)(H,42,51)(H,43,47)(H,44,50)/t25-,27+,28+,29+,30+,32-,33+,34+/m1/s1
InChIKey SLJZYOVZWGGRQB-GRYOGVIMSA-N
SMILES O=C1O[C@@H]([C@H](NC(=O)CCC)C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N([C@H](C(N([C@H](C(N[C@H]1C(C)C)=O)CC3=CC=CC=C3)C)=O)CC(C)C)C2=O)O)CC(C)C)C
Metabolite of Species Details
Symploca (NCBI:txid105591) 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 Tasipeptin B (CHEBI:205299) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
N-[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-4,11-dimethyl-2,15-bis(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]butanamide
Manual Xref Database
8163332 ChemSpider
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