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CHEBI:212871 - Nostoweipeptin W1

ChEBI IDCHEBI:212871
ChEBI NameNostoweipeptin W1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H86N10O16
Net Charge0
Average Mass1215.413
Monoisotopic Mass1214.62233
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]2C[C@H](C)CN2C(=O)C(NC(=O)[C@H](Cc2ccccc2)N(C)C(C)=O)COC(=O)[C@@H]2C[C@H](C)CN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)C(CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O
InChIInChI=1S/C61H86N10O16/c1-9-35(6)51-56(81)63-43(22-38-15-17-39(74)18-16-38)52(77)64-44(30-72)57(82)70-28-40(75)24-48(70)60(85)71-29-41(76)25-49(71)59(84)69-27-34(5)21-50(69)61(86)87-31-45(65-54(79)46(67(8)36(7)73)23-37-13-11-10-12-14-37)58(83)68-26-33(4)20-47(68)55(80)62-42(19-32(2)3)53(78)66-51/h10-18,32-35,40-51,72,74-76H,9,19-31H2,1-8H3,(H,62,80)(H,63,81)(H,64,77)(H,65,79)(H,66,78)/t33-,34-,35-,40+,41+,42+,43-,44?,45?,46-,47-,48-,49-,50-,51-/m0/s1
InChIKeyMMBXLTIUUMSPLR-VRJRVMSLSA-N
Species of MetaboliteComponentSourceComments
Nostoc (ncbitaxon:1177) - PubMed (25203327)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Nostoweipeptin W1 (CHEBI:212871) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S)-2-[acetyl(methyl)amino]-N-[(1S,5R,7S,11S,13S,21S,23S,26R,29S,32S,39R)-29-[(2S)-butan-2-yl]-5,39-dihydroxy-35-(hydroxymethyl)-32-[(4-hydroxyphenyl)methyl]-11,21-dimethyl-26-(2-methylpropyl)-2,8,14,18,24,27,30,33,36-nonaoxo-15-oxa-3,9,19,25,28,31,34,37-octazapentacyclo[35.3.0.03,7.09,13.019,23]tetracontan-17-yl]-3-phenylpropanamide