Demannosyl-A40926
AlkaPlorer ID: AK046405
Synonym: None
IUPAC Name: (1S,2R,19R,22R,34S,37R,40R,52S)-64-[6-carboxy-4,5-dihydroxy-3-(1-hydroxyundecylideneamino)oxan-2-yl]oxy-5,32-dichloro-2,21,26,31,35,38,44,47,49,54,56,59-dodecahydroxy-22-(methylamino)-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14(63),15,17(62),20,23(61),24,26,29(60),30,32,35,38,41(57),42,44,46(51),47,49,53,55,58,65-heptacosaene-52-carboxylic acid
Structure
SMILES: CCCCCCCCCCC(O)=NC1C(OC2=C3C=C4C=C2OC2=CC=C(C=C2Cl)[C@@H](O)[C@@H]2N=C(O)[C@H](N=C(O)[C@@H]4N=C(O)[C@H]4N=C(O)[C@@H](CC5=CC=C(C=C5)O3)N=C(O)[C@H](NC)C3=CC=C(O)C(=C3)OC3=CC(O)=C(Cl)C4=C3)C3=CC=C(O)C(=C3)C3=C(O)C=C(O)C=C3[C@@H](C(=O)O)N=C2O)OC(C(=O)O)C(O)C1O
InChI: InChI=1S/C76H76Cl2N8O24/c1-3-4-5-6-7-8-9-10-11-53(92)81-62-64(94)65(95)67(75(104)105)110-76(62)109-66-51-26-36-27-52(66)108-49-21-16-35(24-43(49)77)63(93)61-73(101)85-60(74(102)103)41-28-37(87)29-47(90)54(41)40-23-33(14-19-45(40)88)57(70(98)86-61)82-71(99)58(36)83-72(100)59-42-30-39(31-48(91)55(42)78)107-50-25-34(15-20-46(50)89)56(79-2)69(97)80-44(68(96)84-59)22-32-12-17-38(106-51)18-13-32/h12-21,23-31,44,56-65,67,76,79,87-91,93-95H,3-11,22H2,1-2H3,(H,80,97)(H,81,92)(H,82,99)(H,83,100)(H,84,96)(H,85,101)(H,86,98)(H,102,103)(H,104,105)/t44-,56-,57-,58-,59+,60+,61+,62?,63-,64?,65?,67?,76?/m1/s1
InChIKey: GXCQQHJHUPWIIR-DDTRUKMISA-N
Reference
Production of Demannosyl-A40926 by a Nonomuraea sp. ATCC 39727 Mutant Strain.
PubChem CID: 139587529
LOTUS: LTS0243792
{NPAtlas: NPA015961
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nonomuraea sp. | Nonomuraea | Streptosporangiaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1556.3820000000003
TPSA？: 522.7500000000001
MolLogP？: 12.347699999999998
Number of H-Donors: 18
Number of H-Acceptors: 23
RingCount: 14
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|