Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000746
PROPERTIES
| NPAID | NPA000746 |
|---|---|
| CLUSTER ID | 536 |
| NODE ID | 478 |
| NAME | Neuroprotectin B |
| FORMULA | C61H45Cl6N7O17 |
| MOLECULAR WEIGHT (Da) | 1360.7810 |
| ACCURATE MASS (Da) | 1357.1003 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. |
| InChIKey | NGSUYOQYYVLKJJ-MNTPPSJWSA-N |
| InChI | InChI=1S/C61H45Cl6N7O17/c1-74-42(54(82)73-47(59(87)88)24-4-7-30(75)8-5-24)12-23-2-9-31(10-3-23)91-43-21-26-13-32(49(43)77)25-6-11-33-40(20-25)69-60(89)61(33,90)22-41(68-57(85)48(76)29-18-38(66)52(80)39(67)19-29)53(81)70-45(27-14-34(62)50(78)35(63)15-27)55(83)71-44(26)56(84)72-46(58(74)86)28-16-36(64)51(79)37(65)17-28/h2-11,13-21,41-42,44-47,75,77-80,90H,12,22H2,1H3,(H,68,85)(H,69,89)(H,70,81)(H,71,83)(H,72,84)(H,73,82)(H,87,88)/t41-,42+,44+,45-,46-,47+,61?/m1/s1 |
| SMILES | CN1[C@@H](CC2=CC=C(C=C2)OC3=C(C4=CC(=C3)[C@@H](C(=O)N[C@@H](C1=O)C5=CC(=C(C(=C5)Cl)O)Cl)NC(=O)[C@H](NC(=O)[C@@H](CC6(C7=C(C=C4C=C7)NC6=O)O)NC(=O)C(=O)C8=CC(=C(C(=C8)Cl)O)Cl)C9=CC(=C(C(=C9)Cl)O)Cl)O)C(=O)N[C@@H](C1=CC=C(C=C1)O)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | KOBAYASHI, HIROYUKI; SHIN-YA, KAZUO; FURIHATA, KAZUO; NAGAI, KOJI; SUZUKI, KEN-ICHI; HAYAKAWA, YOICHI; SETO, HARUO; YUN, BONG-SIK; RYOO, IN-JA; KIM, JUNG-SIK; KIM, CHANG-JIN; YOO, ICK-DONG Neuroprotectins A and B, Bicyclohexapeptides Protecting Chick Telencephalic Neurons from Excitotoxicity. II. Structure Determination Journal of Antibiotics 2001 54 (12) 1019-1024. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.54.1019 | PMID | 11858655 |
