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CHEBI:212878 - Nostoweipeptin W2

ChEBI IDCHEBI:212878
ChEBI NameNostoweipeptin W2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H86N10O15
Net Charge0
Average Mass1199.414
Monoisotopic Mass1198.62741
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]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)C(CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O
InChIInChI=1S/C61H86N10O15/c1-9-36(6)51-56(80)63-43(25-39-17-19-40(74)20-18-39)52(76)64-44(31-72)57(81)71-30-41(75)27-49(71)60(84)68-21-13-16-46(68)59(83)70-29-35(5)24-50(70)61(85)86-32-45(65-54(78)47(67(8)37(7)73)26-38-14-11-10-12-15-38)58(82)69-28-34(4)23-48(69)55(79)62-42(22-33(2)3)53(77)66-51/h10-12,14-15,17-20,33-36,41-51,72,74-75H,9,13,16,21-32H2,1-8H3,(H,62,79)(H,63,80)(H,64,76)(H,65,78)(H,66,77)/t34-,35-,36-,41+,42+,43-,44?,45?,46-,47-,48-,49-,50-,51-/m0/s1
InChIKeyUXXDXIYOJRIUQT-YMDMZXMDSA-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 W2 (CHEBI:212878) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S)-2-[acetyl(methyl)amino]-N-[(1S,7S,11S,13S,21S,23S,26R,29S,32S,39R)-29-[(2S)-butan-2-yl]-39-hydroxy-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