CHEBI:212871 - Nostoweipeptin W1

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Nostoweipeptin W1
ChEBI ID CHEBI:212871
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C61H86N10O16
Net Charge 0
Average Mass 1215.413
Monoisotopic Mass 1214.62233
InChI InChI=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
InChIKey MMBXLTIUUMSPLR-VRJRVMSLSA-N
SMILES O=C1N2[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(CO)C(N3[C@H](C(N4[C@H](C(N5[C@H](C(OCC1NC(=O)[C@@H](N(C(=O)C)C)CC6=CC=CC=C6)=O)C[C@H](C)C5)=O)C[C@@H](O)C4)=O)C[C@@H](O)C3)=O)CC7=CC=C(O)C=C7)[C@H](CC)C)CC(C)C)C[C@@H](C2)C
Metabolite of Species Details
Nostoc (NCBI:txid1177) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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