Molecule

Myxochromide S1

AlkaPlorer ID: AK030298

Synonym: None

IUPAC Name: (2E,4E,6E,8E,10E,12E,14E)-N-[(3S,6S,9S,12S,15S,16R)-3-(3-amino-3-oxopropyl)-6,9,16-trimethyl-12-(2-methylpropyl)-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-N-methylhexadeca-2,4,6,8,10,12,14-heptaenamide

Structure

SMILES: C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)N(C)[C@@H]1C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](C)C(O)=N[C@@H](C)C(O)=N[C@@H](CCC(=N)O)C(=O)O[C@@H]1C

InChI: InChI=1S/C38H54N6O8/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(46)44(7)33-28(6)52-38(51)29(22-23-31(39)45)42-35(48)27(5)40-34(47)26(4)41-36(49)30(24-25(2)3)43-37(33)50/h8-21,25-30,33H,22-24H2,1-7H3,(H2,39,45)(H,40,47)(H,41,49)(H,42,48)(H,43,50)/b9-8+,11-10+,13-12+,15-14+,17-16+,19-18+,21-20+/t26-,27-,28+,29-,30-,33-/m0/s1

InChIKey: BHYCLFCOZPICKT-CNDSVILGSA-N

Reference

Structure and Biosynthesis of Myxochromides S<sub>1–3</sub> in <i>Stigmatella aurantiaca</i>: Evidence for an Iterative Bacterial Type I Polyketide Synthase and for Module Skipping in Nonribosomal Peptide Biosynthesis

PubChem CID: 23724551

LOTUS: LTS0230343

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NPAtlas: NPA001302

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Stigmatella	Archangiaceae	Myxococcales	Myxococcia	Myxococcota	None	Bacteria

Properties Information

Molecule Weight: 722.8840000000001

TPSA？: 221.05

MolLogP？: 6.373770000000005

Number of H-Donors: 6

Number of H-Acceptors: 8

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi