Arthrofactin A
AlkaPlorer ID: AK132761
Synonym: None
IUPAC Name: (3R)-4-[[(3S,6S,9S,12R,15S,18R,21R,24R,27R,28R)-6,9-bis[(2S)-butan-2-yl]-3-(carboxymethyl)-12,18-bis(hydroxymethyl)-28-methyl-15,21,24-tris(2-methylpropyl)-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-27-yl]amino]-3-[[(2R)-2-(3-hydroxydecanoylamino)-4-methylpentanoyl]amino]-4-oxobutanoic acid
Structure
SMILES: CCCCCCCC(O)CC(O)=N[C@H](CC(C)C)C(O)=N[C@H](CC(=O)O)C(O)=N[C@H]1C(O)=N[C@H](CC(C)C)C(O)=N[C@H](CC(C)C)C(O)=N[C@H](CO)C(O)=N[C@@H](CC(C)C)C(O)=N[C@H](CO)C(O)=N[C@@H]([C@@H](C)CC)C(O)=N[C@@H]([C@@H](C)CC)C(O)=N[C@@H](CC(=O)O)C(=O)O[C@@H]1C
InChI: InChI=1S/C64H111N11O20/c1-15-18-19-20-21-22-39(78)27-48(79)65-40(23-32(4)5)54(84)68-44(28-49(80)81)58(88)75-53-38(14)95-64(94)45(29-50(82)83)70-61(91)51(36(12)16-2)74-62(92)52(37(13)17-3)73-60(90)47(31-77)72-57(87)42(25-34(8)9)67-59(89)46(30-76)71-56(86)41(24-33(6)7)66-55(85)43(26-35(10)11)69-63(53)93/h32-47,51-53,76-78H,15-31H2,1-14H3,(H,65,79)(H,66,85)(H,67,89)(H,68,84)(H,69,93)(H,70,91)(H,71,86)(H,72,87)(H,73,90)(H,74,92)(H,75,88)(H,80,81)(H,82,83)/t36-,37-,38+,39?,40+,41+,42-,43+,44+,45-,46+,47+,51-,52-,53+/m0/s1
InChIKey: UROZFFDPLXHNMZ-LQIYNXBDSA-N
Reference
A new lipopeptide biosurfactant produced by Arthrobacter sp. strain MIS38
PubChem CID: 139588695
LOTUS: LTS0186690
{NPAtlas: NPA020117
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Arthrobacter sp. | Arthrobacter | Micrococcaceae | Micrococcales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1354.6489999999997
TPSA？: 520.0800000000002
MolLogP？: 8.829900000000016
Number of H-Donors: 16
Number of H-Acceptors: 18
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|