CHEBI:227266 - Eudistamide 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 Eudistamide B
ChEBI ID CHEBI:227266
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C72H99N11O18
Net Charge 0
Average Mass 1406.643
Monoisotopic Mass 1405.71696
InChI InChI=1S/C72H99N11O18/c1-38(2)33-51-64(92)76-52(35-45-22-27-48(86)28-23-45)65(93)74-50(21-15-16-32-73)63(91)82-59(61(89)39(3)4)71(99)79-55(37-84)68(96)77-54(36-46-24-29-49(87)30-25-46)67(95)81-57(42(8)85)69(97)83-60(62(90)40(5)6)72(100)101-43(9)58(80-56(88)31-26-47-20-14-13-17-41(47)7)70(98)78-53(66(94)75-51)34-44-18-11-10-12-19-44/h10-14,17-20,22-31,38-40,42-43,50-55,57-62,84-87,89-90H,15-16,21,32-37,73H2,1-9H3,(H,74,93)(H,75,94)(H,76,92)(H,77,96)(H,78,98)(H,79,99)(H,80,88)(H,81,95)(H,82,91)(H,83,97)/b31-26+/t42-,43+,50+,51-,52+,53+,54+,55-,57+,58+,59-,60-,61+,62+/m0/s1
InChIKey PAHKNEYDFHZHER-AZCQSNPDSA-N
SMILES O=C1O[C@@H]([C@@H](NC(=O)/C=C/C2=C(C=CC=C2)C)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](CCCCN)C(N[C@H](C(N[C@H](C(N[C@@H](C(N[C@@H](C(N[C@H]1[C@H](O)C(C)C)=O)[C@@H](O)C)=O)CC3=CC=C(O)C=C3)=O)CO)=O)[C@H](O)C(C)C)=O)CC4=CC=C(O)C=C4)CC(C)C)CC5=CC=CC=C5)C
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) 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 Eudistamide B (CHEBI:227266) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(E)-N-[(3S,6R,9R,12S,15S,18R,21R,24S,27R,30R,31R)-18-(4-aminobutyl)-27-benzyl-6-[(1S)-1-hydroxyethyl]-12-(hydroxymethyl)-3,15-bis[(1R)-1-hydroxy-2-methylpropyl]-9,21-bis[(4-hydroxyphenyl)methyl]-31-methyl-24-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriacont-30-yl]-3-(2-methylphenyl)prop-2-enamide
Manual Xref Database
40256547 ChemSpider
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