Products for Research Use Only
RegisterLogin

Apo-Enterobactin

CAT: 0804-HY-172023Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-172023Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Apo-Enterobactin is a derivative of Enterobactin. Enterobactin is a bacterial siderophore that promotes iron absorption[1].
CAS Number
30414-16-5
UNSPSC
12352005
Target
Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/apo-enterobactin.html
Smiles
O=C(C1=C(C(O)=CC=C1)O)N[C@H](C(O)=O)COC([C@H](COC([C@H](CO)NC(C2=C(C(O)=CC=C2)O)=O)=O)NC(C3=C(C(O)=CC=C3)O)=O)=O
Molecular Formula
C30H29N3O16
Molecular Weight
687.56
References & Citations
[1]Willow M, et al. Inhibition of binding of [3H]batrachotoxinin A 20-alpha-benzoate to sodium channels by the anticonvulsant drugs diphenylhydantoin and carbamazepine. Mol Pharmacol. 1982 Nov;22 (3) :627-35.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N,N',N''-tris(2,3-dihydroxybenzoyl)-O-L-seryl-O-L-seryl L-serine

N,N',N''-Tris(2,3-dihydroxybenzoyl)-O-L-seryl-O-L-seryl L-serine is a N-acylglycine. It is functionally related to a N-benzoylglycine.

CAS Number30414-16-5
PubChem CID90658786
IUPAC Name(2S)-2-[(2,3-dihydroxybenzoyl)amino]-3-[(2S)-2-[(2,3-dihydroxybenzoyl)amino]-3-[(2S)-2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxypropanoyl]oxypropanoyl]oxypropanoic acid
Molecular FormulaC30H29N3O16
Molecular Weight687.6
XLogP1.5
Topological Polar Surface Area319
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count16
Rotatable Bond Count16
Heavy Atom Count49
Formal Charge0
Complexity1190
SMILES
C1=CC(=C(C(=C1)O)O)C(=O)N[C@@H](CO)C(=O)OC[C@@H](C(=O)OC[C@@H](C(=O)O)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O
InChI
InChI=1S/C30H29N3O16/c34-10-16(31-25(41)13-4-1-7-19(35)22(13)38)29(46)49-12-18(33-27(43)15-6-3-9-21(37)24(15)40)30(47)48-11-17(28(44)45)32-26(42)14-5-2-8-20(36)23(14)39/h1-9,16-18,34-40H,10-12H2,(H,31,41)(H,32,42)(H,33,43)(H,44,45)/t16-,17-,18-/m0/s1
InChIKey
NTWRWGRCGVKQNS-BZSNNMDCSA-N
Chemical Structure
2D Structure
2D structure of N,N',N''-tris(2,3-dihydroxybenzoyl)-O-L-seryl-O-L-seryl L-serine
CAS: 30414-16-5
CID: 90658786
Formula: C30H29N3O16
MW: 687.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight687.6
XLogP31.5
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count16
Rotatable Bond Count16
Exact Mass687.15478185
Monoisotopic Mass687.15478185
Topological Polar Surface Area319 Ų
Heavy Atom Count49
Formal Charge0
Complexity1190
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-128525-01Enterobactin
HY-128525REnterobactin (Standard)
HY-P10943-01APO-15
HY-P11004A3-APO
HY-N6677-01β-​Apo-​8'-​carotenal
HY-W782321β-Apo-12'-carotenal
HY-107217Apo-12'-lycopenal
HY-N15681β-Apo-10'-carotenal
HY-P3267AApo-Bovine Transferrin
HY-101953-01β-Apo-13-carotenone

Alternative Products

CatalogName
T203465-01Apo-Enterobactin
MBS3617237-01Enterobactin
MBS1251286-01Recombinant Escherichia fergusonii Enterobactin exporter EntS (entS), partial
MBS1113420-01Recombinant Citrobacter koseri Enterobactin exporter EntS (entS), partial
MBS1199382-01Recombinant Escherichia coli Enterobactin exporter EntS (entS), partial
MBS7096890Recombinant Salmonella typhimurium Enterobactin exporter EntS (entS), partial
MBS7091588Recombinant Shigella flexneri Enterobactin exporter EntS (entS), partial
MBS7081710Recombinant Salmonella choleraesuis Enterobactin exporter EntS (entS), partial
MBS7079635Recombinant Shigella sonnei Enterobactin exporter EntS (entS), partial
MBS1118774-01Recombinant Escherichia coli Enterobactin synthase component E (entE)

Popular Products