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CHEBI:212903 - Nostoweipeptin W6

ChEBI IDCHEBI:212903
ChEBI NameNostoweipeptin W6
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H84N10O16
Net Charge0
Average Mass1201.386
Monoisotopic Mass1200.60668
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=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/C60H84N10O16/c1-8-34(5)50-55(80)62-42(23-37-16-18-38(73)19-17-37)51(76)63-43(30-71)56(81)69-28-39(74)25-47(69)59(84)70-29-40(75)26-48(70)58(83)68-27-33(4)22-49(68)60(85)86-31-44(64-54(79)46(66(7)35(6)72)24-36-13-10-9-11-14-36)57(82)67-20-12-15-45(67)53(78)61-41(21-32(2)3)52(77)65-50/h9-11,13-14,16-19,32-34,39-50,71,73-75H,8,12,15,20-31H2,1-7H3,(H,61,78)(H,62,80)(H,63,76)(H,64,79)(H,65,77)/t33-,34-,39+,40+,41+,42-,43?,44?,45-,46-,47-,48-,49-,50-/m0/s1
InChIKeyMGLFPTQIPUMCNR-JSKPIKICSA-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 W6 (CHEBI:212903) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S)-2-[acetyl(methyl)amino]-N-[(1S,5R,7S,11S,13S,23S,26R,29S,32S,39R)-29-[(2S)-butan-2-yl]-5,39-dihydroxy-35-(hydroxymethyl)-32-[(4-hydroxyphenyl)methyl]-11-methyl-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