CHEBI:218572 - Alterochromide 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 Alterochromide A
ChEBI ID CHEBI:218572
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H51N7O10
Net Charge 0
Average Mass 765.865
Monoisotopic Mass 765.36974
InChI InChI=1S/C38H51N7O10/c1-6-22(4)32-38(54)55-23(5)33(43-30(49)14-12-10-8-7-9-11-13-24-15-17-25(46)18-16-24)37(53)44-31(21(2)3)36(52)42-26(19-28(39)47)34(50)41-27(20-29(40)48)35(51)45-32/h7-18,21-23,26-27,31-33,46H,6,19-20H2,1-5H3,(H2,39,47)(H2,40,48)(H,41,50)(H,42,52)(H,43,49)(H,44,53)(H,45,51)/b9-7+,10-8+,13-11+,14-12+/t22-,23-,26+,27+,31+,32+,33+/m1/s1
InChIKey NOXVAEGHELSLCZ-NLUZMNHVSA-N
SMILES O=C1O[C@@H]([C@H](NC(=O)/C=C/C=C/C=C/C=C/C2=CC=C(O)C=C2)C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H]1[C@@H](CC)C)=O)CC(=O)N)=O)CC(=O)N)C(C)C)C
Metabolite of Species Details
Pseudoalteromonas piscicida ATCC 15057 (NCBI:txid1279016) 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 Alterochromide A (CHEBI:218572) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(2E,4E,6E,8E)-N-[(3S,6S,9S,12S,15S,16R)-6,9-bis(2-amino-2-oxoethyl)-3-[(2R)-butan-2-yl]-16-methyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-9-(4-hydroxyphenyl)nona-2,4,6,8-tetraenamide
Manual Xref Database
78442808 ChemSpider
View more database links