CHEBI:225284 - Azalomycin F4

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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 Azalomycin F4
ChEBI ID CHEBI:225284
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C56H95N3O17
Net Charge 0
Average Mass 1082.380
Monoisotopic Mass 1081.66615
InChI InChI=1S/C56H95N3O17/c1-33-18-15-20-37(5)52(36(4)17-13-11-9-10-12-14-24-59-55(57)58-8)75-54(72)38(6)21-16-19-34(2)46(64)30-47(65)39(7)44(62)23-22-35(3)49(67)32-56(73)53(71)48(66)29-43(76-56)27-40(60)25-42(26-41(61)28-45(33)63)74-51(70)31-50(68)69/h9-10,15-16,18-21,34-37,39-49,52-53,60-67,71,73H,11-14,17,22-32H2,1-8H3,(H,68,69)(H3,57,58,59)/b10-9+,19-16-,20-15-,33-18-,38-21-/t34-,35+,36-,37+,39+,40+,41+,42-,43+,44-,45-,46+,47-,48+,49+,52+,53-,56+/m0/s1
InChIKey VVTOEWSNSYMJKD-ZUZKWIGSSA-N
SMILES O=C1O[C@@H]([C@@H](C=CC=C([C@@H](O)C[C@H](O)C[C@@H](OC(=O)CC(=O)O)C[C@@H](O)C[C@H]2O[C@@](C[C@H]([C@@H](CC[C@@H]([C@H]([C@H](C[C@H]([C@H](C=CC=C1C)C)O)O)C)O)C)O)(O)[C@@H](O)[C@@H](C2)O)C)C)[C@H](CCC/C=C/CCCNC(=NC)N)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Azalomycin F4 (CHEBI:225284) is a macrolide (CHEBI:25106)
IUPAC Name
3-[[(1R,3S,5R,7S,9S,10E,12E,14R,15R,18Z,20E,22S,23R,25S,26R,27S,30R,31R,33R,34S,35R)-3,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-15-[(E,2S)-10-[(N'-methylcarbamimidoyl)amino]dec-6-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-5-yl]oxy]-3-oxopropanoic acid
Manual Xref Database
78443312 ChemSpider
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