CHEBI:207178 - Cryptophycin-327

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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 Cryptophycin-327
ChEBI ID CHEBI:207178
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000049833508
Download Molfile XML SDF
Formula C35H43ClN2O8
Net Charge 0
Average Mass 655.190
Monoisotopic Mass 654.27079
InChI InChI=1S/C35H43ClN2O8/c1-20(2)16-29-35(42)44-27(22(4)31-32(46-31)24-10-7-6-8-11-24)12-9-13-30(39)38-26(33(40)37-19-21(3)34(41)45-29)18-23-14-15-28(43-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32H,12,16,18-19H2,1-5H3,(H,37,40)(H,38,39)/b13-9-/t21-,22+,26-,27+,29+,31-,32-/m1/s1
InChIKey PSNOPSMXOBPNNV-GKPRUIBSSA-N
SMILES ClC1=C(OC)C=CC(=C1)C[C@H]2NC(=O)C=CC[C@H](OC(=O)[C@@H](OC([C@@H](CNC2=O)C)=O)CC(C)C)[C@@H]([C@H]3O[C@@H]3C4=CC=CC=C4)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 Cryptophycin-327 (CHEBI:207178) is a peptide (CHEBI:16670)
IUPAC Name
(3S,6R,10R,13Z,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
Manual Xref Database
9597293 ChemSpider
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