CHEBI:215648 - Micropeptin MM932

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Micropeptin MM932
ChEBI ID CHEBI:215648
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C43H60N6O15S
Net Charge 0
Average Mass 933.040
Monoisotopic Mass 932.38374
InChI InChI=1S/C43H60N6O15S/c1-7-24(4)35-43(59)64-25(5)36(47-39(55)33(51)22-63-65(60,61)62)40(56)45-30(19-23(2)3)37(53)44-29-17-18-34(52)49(41(29)57)32(21-26-11-9-8-10-12-26)42(58)48(6)31(38(54)46-35)20-27-13-15-28(50)16-14-27/h8-16,23-25,29-36,50-52H,7,17-22H2,1-6H3,(H,44,53)(H,45,56)(H,46,54)(H,47,55)(H,60,61,62)/t24-,25+,29-,30-,31-,32-,33+,34+,35-,36-/m0/s1
InChIKey VMKGLVPMHJPVSL-HVIFKSKXSA-N
SMILES S(=O)(=O)(OC[C@@H](O)C(=O)N[C@@H]1C(=O)N[C@H](C(=O)N[C@@H]2C(=O)N([C@@H](CC3=CC=CC=C3)C(N([C@H](C(N[C@H](C(O[C@@H]1C)=O)[C@H](CC)C)=O)CC4=CC=C(O)C=C4)C)=O)[C@H](O)CC2)CC(C)C)O
Metabolite of Species Details
Microcystisspecies (NCBI:txid1127) See: DOI
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 Micropeptin MM932 (CHEBI:215648) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
[(2R)-3-[[(2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-8-[(2S)-butan-2-yl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-2-hydroxy-3-oxopropyl] hydrogen sulate
Manual Xref Database
78437541 ChemSpider
View more database links