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Chemical structure of Syringomycin E

GF60020

Syringomycin E

Also known as 2-[(9Z)-18,21-bis(2-aminoethyl)-12-benzyl-3-(2-chloro-1-hydroxyethyl)-15-[3-(diaminomethylideneamino)propyl]-24-(hydroxymethyl)-27-(3-hydroxyundecanoylamino)-2,5,8,11,14,17,20,23,26-nonaoxo-9-propylidene-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-6-yl]-2-hydroxyacetic acid

Syringomycin E (SR-E) is a phytotoxin of the cyclic lipodepsinonapeptides class composed of a 3-hydroxy fatty acid tail attached to a polar peptide head that contains nine amino acid residues

ChemicalCAS124888-22-8MW1225.78FormulaC53H85ClN14O17
CAS number
124888-22-8
Molecular weight
1225.78
Formula
C53H85ClN14O17
InChIKey
YMFYPHGOLKNWQN-AQLQTECXSA-N
Catalogue number
GF60020
Brand
GLPBIO
Computed properties PubChem CID 6436256 · XLogP -3 · TPSA 523 Ų · H-bond donors 18
XLogP
-3
TPSA
523 Ų
H-bond donors
18
H-bond acceptors
20
Rotatable bonds
26
Heavy atoms
85

SMILES CCCCCCCCC(CC(=O)NC1COC(=O)C(NC(=O)C(NC(=O)/C(=C/CC)/NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CO)CCN)CCN)CCCN=C(N)N)CC2=CC=CC=C2)C(C(=O)O)O)C(CCl)O)O

Computed descriptors from PubChem (CID 6436256), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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