CHEBI:215979 - Nostopeptin 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 Nostopeptin A
ChEBI ID CHEBI:215979
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C48H74N8O12
Net Charge 0
Average Mass 955.164
Monoisotopic Mass 954.54262
InChI InChI=1S/C48H74N8O12/c1-10-13-36(59)50-31(18-20-35(49)58)45(64)55-24-28(8)41-40(55)44(63)52-33(22-25(4)5)42(61)51-32-19-21-37(60)56(46(32)65)39(27(7)12-3)47(66)54(9)34(23-29-14-16-30(57)17-15-29)43(62)53-38(26(6)11-2)48(67)68-41/h14-17,25-28,31-34,37-41,57,60H,10-13,18-24H2,1-9H3,(H2,49,58)(H,50,59)(H,51,61)(H,52,63)(H,53,62)/t26-,27-,28?,31-,32?,33-,34-,37?,38-,39-,40?,41?/m0/s1
InChIKey KKMAWFNZQASNQS-LQKKIDTDSA-N
SMILES O=C1OC2C(N(C(=O)[C@@H](NC(=O)CCC)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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Nostopeptin A (CHEBI:215979) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(4S)-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]-4-(butanoylamino)-5-oxopentanamide
Manual Xref Database
78445192 ChemSpider
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