CHEBI:212810 - Nostopeptin 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 Nostopeptin B
ChEBI ID CHEBI:212810
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C46H70N8O12
Net Charge 0
Average Mass 927.110
Monoisotopic Mass 926.51132
InChI InChI=1S/C46H70N8O12/c1-10-24(5)36-46(65)66-39-26(7)22-53(43(62)30(48-27(8)55)16-18-34(47)57)38(39)42(61)50-32(20-23(3)4)40(59)49-31-17-19-35(58)54(44(31)63)37(25(6)11-2)45(64)52(9)33(41(60)51-36)21-28-12-14-29(56)15-13-28/h12-15,23-26,30-33,35-39,56,58H,10-11,16-22H2,1-9H3,(H2,47,57)(H,48,55)(H,49,59)(H,50,61)(H,51,60)/t24-,25-,26?,30-,31?,32-,33-,35?,36-,37-,38?,39?/m0/s1
InChIKey QMXYZAMGCKYKHQ-FHNQGLGHSA-N
SMILES O=C1OC2C(N(C(=O)[C@@H](NC(=O)C)CCC(=O)N)CC2C)C(=O)N[C@H](C(=O)NC3CCC(N([C@H](C(N([C@H](C(N[C@H]1[C@H](CC)C)=O)CC4=CC=C(O)C=C4)C)=O)[C@H](CC)C)C3=O)O)CC(C)C
Metabolite of Species Details
Nostoc minutum (NCBI:txid1841509) 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 )
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ChEBI Ontology
Outgoing Nostopeptin B (CHEBI:212810) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(4S)-4-acetamido-5-[(4S,14S,17S,20S)-14,20-bis[(2S)-butan-2-yl]-22-hydroxy-17-[(4-hydroxyphenyl)methyl]-10,18-dimethyl-4-(2-methylpropyl)-3,6,13,16,19,25-hexaoxo-12-oxa-2,5,8,15,18,21-hexazatricyclo[19.3.1.07,11]pentacosan-8-yl]-5-oxopentanamide
Manual Xref Database
78445177 ChemSpider
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