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CHEBI:227266 - Eudistamide B

ChEBI IDCHEBI:227266
ChEBI NameEudistamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC72H99N11O18
Net Charge0
Average Mass1406.643
Monoisotopic Mass1405.71696
SMILESCc1ccccc1/C=C/C(=O)N[C@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N[C@@H]([C@H](O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@@H]([C@H](O)C(C)C)C(=O)O[C@@H]1C
InChIInChI=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
InChIKeyPAHKNEYDFHZHER-AZCQSNPDSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (26273993)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
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
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