CHEBI:228107 - Cahuitamycin A

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 Cahuitamycin A
ChEBI ID CHEBI:228107
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 C27H37N7O11
Net Charge 0
Average Mass 635.631
Monoisotopic Mass 635.25511
InChI InChI=1S/C27H37N7O11/c35-13-18(31-24(41)19-14-45-26(32-19)16-5-1-2-8-21(16)37)23(40)30-17(6-4-12-33(44)15-36)27(43)34-20(7-3-10-29-34)25(42)28-11-9-22(38)39/h1-2,5,8,15,17-20,29,35,37,44H,3-4,6-7,9-14H2,(H,28,42)(H,30,40)(H,31,41)(H,38,39)/t17-,18+,19+,20-/m1/s1
InChIKey HAEVQUMQPJTONP-FUMNGEBKSA-N
SMILES O=C(NCCC(=O)O)[C@@H]1N(NCCC1)C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]2N=C(C3=C(O)C=CC=C3)OC2)CO)CCCN(O)C=O
Metabolite of Species Details
Streptomyces gandocaensis (NCBI:txid1649596) 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 Cahuitamycin A (CHEBI:228107) is a peptide (CHEBI:16670)
IUPAC Name
3-[[(3R)-2-[(2R)-5-[ormyl(hydroxy)amino]-2-[[(2S)-3-hydroxy-2-[[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]propanoyl]amino]pentanoyl]diazinane-3-carbonyl]amino]propanoic acid
Manual Xref Database
58196894 ChemSpider
View more database links