CHEBI:202318 - Micropeptin 88-F

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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 88-F
ChEBI ID CHEBI:202318
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C58H78N8O15
Net Charge 0
Average Mass 1127.303
Monoisotopic Mass 1126.55866
InChI InChI=1S/C58H78N8O15/c1-9-14-45(69)59-42(29-36-17-21-38(67)22-18-36)51(72)61-41(57(78)80-8)25-27-46(70)63-49-34(6)81-58(79)48(33(5)10-2)64-53(74)44(31-35-15-12-11-13-16-35)65(7)56(77)50(32(3)4)66-47(71)28-26-40(55(66)76)60-52(73)43(62-54(49)75)30-37-19-23-39(68)24-20-37/h11-13,15-24,32-34,40-44,47-50,67-68,71H,9-10,14,25-31H2,1-8H3,(H,59,69)(H,60,73)(H,61,72)(H,62,75)(H,63,70)(H,64,74)/t33-,34+,40?,41?,42-,43-,44-,47+,48-,49-,50-/m0/s1
InChIKey LLRIWFOSYFXMLM-RWXKQYELSA-N
SMILES O=C1O[C@@H]([C@H](NC(=O)CCC(NC(=O)[C@@H](NC(=O)CCC)CC2=CC=C(O)C=C2)C(=O)OC)C(=O)N[C@H](C(=O)NC3CC[C@H](N([C@H](C(N([C@H](C(N[C@H]1[C@H](CC)C)=O)CC4=CC=CC=C4)C)=O)C(C)C)C3=O)O)CC5=CC=C(O)C=C5)C
Metabolite of Species Details
Cyanobacterium (NCBI:txid102234) 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 88-F (CHEBI:202318) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
methyl 5-[[(2S,5S,8S,11R,12S,15S,21R)-5-benzyl-8-[(2S)-butan-2-yl]-21-hydroxy-15-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-2-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-2-[[(2S)-2-(butanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoate
Manual Xref Database
78436850 ChemSpider
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