Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA002970
PROPERTIES
NPAID | NPA002970 |
---|---|
CLUSTER ID | 536 |
NODE ID | 478 |
NAME | Neuroprotectin A |
FORMULA | C61H45Cl6N7O16 |
MOLECULAR WEIGHT (Da) | 1344.7820 |
ACCURATE MASS (Da) | 1341.1054 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | sp. |
InChIKey | ZFUGTFLRENMBAG-HYTWXIRXSA-N |
InChI | InChI=1S/C61H45Cl6N7O16/c1-74-43(56(83)73-48(61(88)89)24-4-7-30(75)8-5-24)12-23-2-9-31(10-3-23)90-44-21-26-13-33(50(44)77)25-6-11-32-34(54(81)68-41(32)20-25)22-42(69-59(86)49(76)29-18-39(66)53(80)40(67)19-29)55(82)70-46(27-14-35(62)51(78)36(63)15-27)57(84)71-45(26)58(85)72-47(60(74)87)28-16-37(64)52(79)38(65)17-28/h2-11,13-21,34,42-43,45-48,75,77-80H,12,22H2,1H3,(H,68,81)(H,69,86)(H,70,82)(H,71,84)(H,72,85)(H,73,83)(H,88,89)/t34?,42-,43+,45-,46-,47-,48-/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](CC6C7=C(C=C4C=C7)NC6=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. | ||
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DOI | 10.7164/antibiotics.54.1019 | PMID | 11858655 |