CHEBI:215673 - (Z)-pseudoxylallemycin 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 (Z)-pseudoxylallemycin F
ChEBI ID CHEBI:215673
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H54N4O7
Net Charge 0
Average Mass 702.893
Monoisotopic Mass 702.39925
InChI InChI=1S/C40H54N4O7/c1-9-11-19-50-30-16-13-28(14-17-30)23-32-39(48)43(7)35(22-27(5)6)38(47)42-33(40(49)44(8)34(21-26(3)4)37(46)41-32)24-29-15-18-31(25-36(29)45)51-20-12-10-2/h10-18,25-27,32-35,45H,1,19-24H2,2-8H3,(H,41,46)(H,42,47)/b12-10-/t32-,33-,34-,35-/m0/s1
InChIKey VQZBTHQWJRKXES-GZQQWLEASA-N
SMILES O=C1N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(N[C@H]1CC2=C(O)C=C(OC/C=C\C)C=C2)=O)CC(C)C)C)CC3=CC=C(OCC=C=C)C=C3)CC(C)C)C
ChEBI Ontology
Outgoing (Z)-pseudoxylallemycin F (CHEBI:215673) has functional parent α-amino acid (CHEBI:33704)
(Z)-pseudoxylallemycin F (CHEBI:215673) is a organonitrogen compound (CHEBI:35352)
(Z)-pseudoxylallemycin F (CHEBI:215673) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3S,6S,9S,12S)-3-[(4-buta-2,3-dienoxyphenyl)methyl]-9-[[4-[(Z)-but-2-enoxy]-2-hydroxyphenyl]methyl]-1,7-dimethyl-6,12-bis(2-methylpropyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
Manual Xref Database
78437544 ChemSpider
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