CHEBI:213809 - Microginin 299-A

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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 Microginin 299-A
ChEBI ID CHEBI:213809
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C45H67ClN6O10
Net Charge 0
Average Mass 887.510
Monoisotopic Mass 886.46072
InChI InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
InChIKey GTUNZCVHPMEXMH-ZTYVOHGWSA-N
SMILES ClCCCCCCC[C@H](N)[C@H](O)C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1[C@H](C(=O)N[C@H](C(=O)O)CC2=CC=C(O)C=C2)CCC1)CC3=CC=C(O)C=C3)C)C(C)C)C)C(C)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 )
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ChEBI Ontology
Outgoing Microginin 299-A (CHEBI:213809) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Manual Xref Database
8232083 ChemSpider
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