CHEBI:212891 - Nostoweipeptin W4

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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 W4
ChEBI ID CHEBI:212891
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C60H84N10O16
Net Charge 0
Average Mass 1201.386
Monoisotopic Mass 1200.60668
InChI InChI=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
InChIKey VZRGRTLNYUOHNX-DPFCJGTLSA-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](NC(=O)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 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