CHEBI:198140 - Micropeptin D

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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 Micropeptin D
ChEBI ID CHEBI:198140
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C55H73N7O14
Net Charge 0
Average Mass 1056.224
Monoisotopic Mass 1055.52155
InChI InChI=1S/C55H73N7O14/c1-6-7-8-9-13-16-44(65)56-39(26-28-46(67)68)49(69)60-48-33(4)76-55(75)47(32(2)3)59-51(71)42(30-36-19-23-38(64)24-20-36)61(5)54(74)43(31-34-14-11-10-12-15-34)62-45(66)27-25-40(53(62)73)57-50(70)41(58-52(48)72)29-35-17-21-37(63)22-18-35/h10-12,14-15,17-24,32-33,39-43,45,47-48,63-64,66H,6-9,13,16,25-31H2,1-5H3,(H,56,65)(H,57,70)(H,58,72)(H,59,71)(H,60,69)(H,67,68)/t33-,39+,40+,41+,42+,43+,45-,47+,48+/m1/s1
InChIKey UYWDIVWVEOWICI-YCNLCRJCSA-N
SMILES O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)CCCCCCC)CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N([C@H](C(N([C@H](C(N[C@H]1C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C2=O)O)CC5=CC=C(O)C=C5)C
Metabolite of Species Details
Microcystis aeruginosa NIES-100 (NCBI:txid449444) 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 Micropeptin D (CHEBI:198140) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(4S)-5-[[(2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-21-hydroxy-5,15-bis[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-(octanoylamino)-5-oxopentanoic acid
Manual Xref Database
24613649 ChemSpider
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