EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:212891 - Nostoweipeptin W4

Default Structure
ChEBI IDCHEBI:212891
ChEBI NameNostoweipeptin W4
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]2C[C@H](C)CN2C(=O)C(NC(=O)[C@H](Cc2ccccc2)NC(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(6)50-55(80)63-43(22-37-14-16-38(73)17-15-37)52(77)64-44(29-71)56(81)69-27-39(74)23-47(69)59(84)70-28-40(75)24-48(70)58(83)68-26-33(5)20-49(68)60(85)86-30-45(65-51(76)42(61-35(7)72)21-36-12-10-9-11-13-36)57(82)67-25-32(4)19-46(67)54(79)62-41(18-31(2)3)53(78)66-50/h9-17,31-34,39-50,71,73-75H,8,18-30H2,1-7H3,(H,61,72)(H,62,79)(H,63,80)(H,64,77)(H,65,76)(H,66,78)/t32-,33-,34-,39+,40+,41+,42-,43-,44?,45?,46-,47-,48-,49-,50-/m0/s1
InChIKeyVZRGRTLNYUOHNX-DPFCJGTLSA-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 W4 (CHEBI:212891) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S)-2-acetamido-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